6XR
Summary
| Name: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| Formula: | C13 H10 N2 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 306.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | XVWLTTDUJXRGEJ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CSC(=N1)c2csc(n2)c3ccccc3O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)c2nc(cs2)C3=NC(CS3)C(=O)O)O |
