F12
Summary
| Name: | 2-(ACETYLAMINO)THIOPHENE-3-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 | 2-(acetylamino)thiophene-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-acetamidothiophene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1c(scc1)NC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1sccc1C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1sccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1c(ccs1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1c(ccs1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11) |
| InChIKey | InChI | 1.03 | RCEBHKDQZCVBTC-UHFFFAOYSA-N |
