PKD
Summary
Name: | (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid |
Formula: | C11 H10 Cl N O3 S |
Formal charge: | 0 |
Formula weight: | 271.72 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid |
OpenEye OEToolkits | 2.0.6 | (4~{S})-3-(4-chlorophenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C1CSCN1C(c2ccc(cc2)Cl)=O)(O)=O |
InChI | InChI | 1.03 | InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | SUAAPVQQVPKSHG-SECBINFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CSCN1C(=O)c2ccc(Cl)cc2 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CSCN1C(=O)c2ccc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)N2CSCC2C(=O)O)Cl |