HCK
Summary
| Name: | 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid |
| Formula: | C18 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 354.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21) |
| InChIKey | InChI | 1.03 | UPIVZLFKYMNZDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc3)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O |
