| PDB CCD ID: | T7P |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H12 F N O3 S |
| InChI: | InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1 |
| InChIKey: | ZNQRDHIQBZKZBG-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)N(c1ccc(cc1)F)C2CS(=O)(=O)C=C2 | | OpenEye OEToolkits 2.0.7 | CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2 | | CACTVS 3.385 | CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(F)cc2 | | ACDLabs 12.01 | C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2 | | CACTVS 3.385 | CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(F)cc2 |
|
| Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide |
| ZINC: | ZINC000005071275 |
zhanggroup.org