A1DNY
Summary
| Name: | 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylic acid |
| Formula: | C9 H7 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 225.287 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1sc(nc1C)c1sccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | DSMGYNWKEJBPKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(sc1C(O)=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | Cc1nc(sc1C(O)=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(sc(n1)c2cccs2)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(sc(n1)c2cccs2)C(=O)O |
