6U6
Summary
| Name: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid |
| Formula: | C10 H8 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 241.694 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14) |
| InChIKey | InChI | 1.03 | UMBLVHSXXWQLDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1sc2ccc(Cl)cc2n1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1sc2ccc(Cl)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1Cl)nc(s2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1Cl)nc(s2)CCC(=O)O |
