A1JTK
Summary
| Name: | 2-azanyl-1,3-benzothiazole-6-carboxylic acid |
| Formula: | C8 H6 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 194.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-1,3-benzothiazole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12) |
| InChIKey | InChI | 1.06 | ZEAKWWWXCZMODH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)sc(n2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)sc(n2)N |
