5ZO
Summary
| Name: | (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid |
| Formula: | C18 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 325.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+ |
| InChIKey | InChI | 1.03 | SONSOTYJHQIJQV-JLHYYAGUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)\C=C(/CC(O)=O)c2sc3ccccc3n2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C=C(CC(O)=O)c2sc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C=C(CC(=O)O)c2nc3ccccc3s2 |
