| PDB CCD ID: | T7J |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N O3 S |
| InChI: | InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1 |
| InChIKey: | PPKLPLWDJXRWSL-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C | | ACDLabs 12.01 | C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O | | CACTVS 3.385 | CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(C)cc2 | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C | | CACTVS 3.385 | CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(C)cc2 |
|
| Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide |
| ZINC: | ZINC000002697128 |
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