VQU
Summary
| Name: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid |
| Formula: | C9 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 210.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C1NC(SC1)c1cnccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.06 | FSNGLHIMQHWTNF-HTQZYQBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CS[C@@H](N1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CS[CH](N1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2N[C@H](CS2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2NC(CS2)C(=O)O |
