EYJ
Summary
| Name: | 3-(1,3-benzothiazol-2-yl)propanoic acid |
| Formula: | C10 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 207.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1,3-benzothiazol-2-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(1,3-benzothiazol-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cc1sc2c(n1)cccc2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13) |
| InChIKey | InChI | 1.03 | WHNQTHDJEZTVHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1sc2ccccc2n1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1sc2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(s2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(s2)CCC(=O)O |
