7NF
Summary
| Name: | 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid |
| Formula: | C7 H7 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 201.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | CDZCZDWBECKRKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1scc(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1scc(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1nc(cs1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1nc(cs1)C(=O)O |
