A1A4A
Summary
| Name: | (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide |
| Formula: | C9 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-~{N}-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1nnc(CC)s1)C1CCCO1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13N3O2S/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h6H,2-5H2,1H3,(H,10,12,13) |
| InChIKey | InChI | 1.06 | KKBVPDRSYCAPEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(NC(=O)[C@H]2CCCO2)nn1 |
| SMILES | CACTVS | 3.385 | CCc1sc(NC(=O)[CH]2CCCO2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1nnc(s1)NC(=O)[C@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1nnc(s1)NC(=O)C2CCCO2 |
