W9H
Summary
| Name: | 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid |
| Formula: | C17 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 295.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-phenyl-2-(phenylmethyl)-1,3-thiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1sc(Cc2ccccc2)nc1c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H13NO2S/c19-17(20)16-15(13-9-5-2-6-10-13)18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,19,20) |
| InChIKey | InChI | 1.06 | MKDPSENJELZGTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc(Cc2ccccc2)nc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc(Cc2ccccc2)nc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2nc(c(s2)C(=O)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2nc(c(s2)C(=O)O)c3ccccc3 |
