4YJ
Summary
| Name: | 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| Formula: | C12 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 264.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16) |
| InChIKey | InChI | 1.06 | MZAIVCKQPLCXJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cc2sc(N)nc2C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cc2sc(N)nc2C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O |
