T7P
Summary
| Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide |
| Formula: | C12 H12 F N O3 S |
| Formal charge: | 0 |
| Formula weight: | 269.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-~{N}-(4-fluorophenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2 |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | ZNQRDHIQBZKZBG-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(c1ccc(cc1)F)C2CS(=O)(=O)C=C2 |
