GV9
Summary
| Name: | 3-(acetylamino)thiophene-2-carboxylic acid |
| Formula: | C7 H7 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 185.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(acetylamino)thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-acetamidothiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1c(scc1)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1ccsc1C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1ccsc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccsc1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccsc1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11) |
| InChIKey | InChI | 1.03 | LLKLTQJOEPWBOE-UHFFFAOYSA-N |
