EYV
Summary
| Name: | (1,3-benzothiazol-2-yl)acetic acid |
| Formula: | C9 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 193.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1,3-benzothiazol-2-yl)acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(1,3-benzothiazol-2-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)c2sc1c(cccc1)n2 |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12) |
| InChIKey | InChI | 1.03 | ZOAYQTSFMDZTQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1sc2ccccc2n1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1sc2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(s2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(s2)CC(=O)O |
