JBZ
Summary
| Name: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid |
| Formula: | C9 H7 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 209.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methoxy-1,3-benzothiazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | JDKMYJZEGZZJOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc(sc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc2nc(sc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)sc(n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)sc(n2)C(=O)O |
