T2C
Summary
Name: | (2S)-1,3-thiazolidine-2-carboxylic acid |
Formula: | C4 H7 N O2 S |
Formal charge: | 0 |
Formula weight: | 133.169 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-1,3-thiazolidine-2-carboxylic acid |
OpenEye OEToolkits | 2.0.7 | (2~{S})-1,3-thiazolidine-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(O)=O)NCCS1 |
InChI | InChI | 1.03 | InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | ULSZVNJBVJWEJE-VKHMYHEASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1NCCS1 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1NCCS1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CS[C@H](N1)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CSC(N1)C(=O)O |