SDF/Mol File of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide (C17H17ClN2O3S2)
Identification of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide Chemical Compound
![2D chemical structure image of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide](http://static.molinstincts.com/compound_common/2E-N-2-chloro-5-1-1-dioxo-1l-6-2-thiazolidin-2-yl-phenyl-2-methyl-3-2D-structure-CT1060634601.png)
| Chemical Formula | C17H17ClN2O3S2 |
|---|---|
| Molecular Weight | 396.91148 g/mol |
| IUPAC Name | (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide |
| SMILES String | CC(=Cc1cccs1)C(=O)Nc2cc(ccc2Cl)N3CCCS3(=O)=O |
| InChI | InChI=1S/C17H17ClN2O3S2/c1-12(10-14-4-2-8-24-14)17(21)19-16-11-13(5-6-15(16)18)20-7-3-9-25(20,22)23/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,19,21)/b12-10+ |
| InChIKey | OXMBDBQBVWMTQE-ZRDIBKRKSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide](http://static.molinstincts.com/compound_3d/2E-N-2-chloro-5-1-1-dioxo-1l-6-2-thiazolidin-2-yl-phenyl-2-methyl-3-3D-structure-CT1060634601.png)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide Molecule
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Chemical structure of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide is available in chemical structure page of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide
The molecular weight of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide is available in molecular weight page of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide
The chemical formula of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide is given in chemical formula page of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide is:
InChI=1S/C17H17ClN2O3S2/c1-12(10-14-4-2-8-24-14)17(21)19-16-11-13(5-6-15(16)18)20-7-3-9-25(20,22)23/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,19,21)/b12-10+
It can provide a standard way to encode the molecular information of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide is:
InChIKey=OXMBDBQBVWMTQE-ZRDIBKRKSA-N
The InChIKey may allow easier web searches for (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide, but it needs to be linked to the full InChI to get back to the original structure of the (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide
The (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide including the registry numbers are listed below, if available:
None available.
(2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide formula? |
|---|
| C17H17ClN2O3S2 |
| How many atoms and what elements are included in the (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide molecule? |
| 42 atom(s) - 17 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), 2 Sulfur atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what kind of bonds are in the (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide structure? |
| 44 bond(s) - 27 non-H bond(s), 15 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), 11 aromatic bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Thiophene(s) |
| What’s the (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide’s molar mass? |
| 396.91148 g/mol |
| What’s the SMILES structure of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide? |
| CC(=Cc1cccs1)C(=O)Nc2cc(ccc2Cl)N3CCCS3(=O)=O |
| What’s the InChI code of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide? |
| InChI=1S/C17H17ClN2O3S2/c1-12(10-14-4-2-8-24-14)17(21)19-16-11-13(5-6-15(16)18)20-7-3-9-25(20,22)23/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,19,21)/b12-10+ |
| What’s the InChIKey format of (2E)-N-[2-chloro-5-(1,1-dioxo-1$l^{6},2-thiazolidin-2-yl)phenyl]-2-methyl-3-(thiophen-2-yl)prop-2-enamide? |
| OXMBDBQBVWMTQE-ZRDIBKRKSA-N |
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