QST
Summary
| Name: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
| Formula: | C10 H17 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 279.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO4S2/c1-4-15-8(14)10(5-16)11-6(7(12)13)9(2,3)17-10/h6,11,16H,4-5H2,1-3H3,(H,12,13)/t6-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | PUOMKKVEJFJZFE-QUBYGPBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@]1(CS)N[C@@H](C(O)=O)C(C)(C)S1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1(NC(C(S1)(C)C)C(=O)O)CS |
