J9F
Summary
| Name: | (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| Formula: | C10 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 223.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | CECDPVOEINSAQG-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CSC(=N1)c2ccccc2O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CSC(=N1)c2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2=NC(CS2)C(=O)O)O |
