A1BCK
Summary
| Name: | N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide |
| Formula: | C9 H11 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 245.319 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]thiophene-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thiolan-3-yl]thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC1CCS(=O)(=O)C1)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO3S2/c11-9(8-2-1-4-14-8)10-7-3-5-15(12,13)6-7/h1-2,4,7H,3,5-6H2,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | QZITWTJGIMOGOA-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@H]1CC[S](=O)(=O)C1)c2sccc2 |
| SMILES | CACTVS | 3.385 | O=C(N[CH]1CC[S](=O)(=O)C1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)C(=O)N[C@H]2CCS(=O)(=O)C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)C(=O)NC2CCS(=O)(=O)C2 |
