JLG
Summary
| Name: | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid |
| Formula: | C8 H5 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 211.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c1scc(C(=O)O)n1)scc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11) |
| InChIKey | InChI | 1.03 | FGKCNTGJZXHKFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(n1)c2sccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1csc(n1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)c2nc(cs2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)c2nc(cs2)C(=O)O |
