T6V
Summary
| Name: | N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide |
| Formula: | C12 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 251.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-~{N}-phenyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | KBIYZUQDVPCCPL-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N([C@@H]1C[S](=O)(=O)C=C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(c1ccccc1)C2CS(=O)(=O)C=C2 |
