XGT
Summary
| Name: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic 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 | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20) |
| InChIKey | InChI | 1.06 | PFTDCOAFFPGHPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2scc(n2)c3ccccc3C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2scc(n2)c3ccccc3C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2nc(cs2)c3ccccc3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2nc(cs2)c3ccccc3C(=O)O |
