6MW
Summary
| Name: | (2S,4S)-2-(pyridin-4-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 | (2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S},4~{S})-2-pyridin-4-yl-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccnc1)C2SCC(C(O)=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | IYYUJCKJSSPXQQ-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CS[C@H](N1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CS[CH](N1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cnccc1[C@H]2N[C@H](CS2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cnccc1C2NC(CS2)C(=O)O |
