A1JBL
Summary
| Name: | 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid |
| Formula: | C17 H12 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 329.801 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21) |
| InChIKey | InChI | 1.06 | JIEKMACRVQTPRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(c(s2)CC(=O)O)c3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(c(s2)CC(=O)O)c3ccc(cc3)Cl |
