N92
Summary
| Name: | 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid |
| Formula: | C16 H11 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 346.788 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22) |
| InChIKey | InChI | 1.03 | NSPLXNBEHSXYHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl |
