TWW
Summary
| Name: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
| Formula: | C8 H13 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 251.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4S2/c1-2-13-7(12)8(4-14)9-5(3-15-8)6(10)11/h5,9,14H,2-4H2,1H3,(H,10,11)/t5-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | WWPSFKWMXCRWSJ-YLWLKBPMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@]1(CS)N[C@@H](CS1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)[C]1(CS)N[CH](CS1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1(NC(CS1)C(=O)O)CS |
