| PDB CCD ID: | T6V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H13 N O3 S |
| InChI: | InChI=1S/C12H13NO3S/c1-10(14)13(11-5-3-2-4-6-11)12-7-8-17(15,16)9-12/h2-8,12H,9H2,1H3/t12-/m0/s1 |
| InChIKey: | KBIYZUQDVPCCPL-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)N(c1ccccc1)C2CS(=O)(=O)C=C2 | | CACTVS 3.385 | CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccccc2 | | CACTVS 3.385 | CC(=O)N([C@@H]1C[S](=O)(=O)C=C1)c2ccccc2 | | OpenEye OEToolkits 2.0.7 | CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2 | | ACDLabs 12.01 | c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O |
|
| Name: | N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide |
| ZINC: | ZINC000001193291 |
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