3-[2-(cyanomethylsulfanyl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[2-(cyanomethylsulfanyl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-(cyanomethylsulfanyl)benzoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[[2-(cyanomethylthio)phenyl]-oxomethyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-(cyanomethylsulfanyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-(cyanomethylthio)benzoyl]thiazolidine-4-carboxylic acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C(=O)C2=CC=CC=C2SCC#N)C(=O)O

Isomeric SMILES

C1C(N(CS1)C(=O)C2=CC=CC=C2SCC#N)C(=O)O

InChI

InChI=1S/C13H12N2O3S2/c14-5-6-20-11-4-2-1-3-9(11)12(16)15-8-19-7-10(15)13(17)18/h1-4,10H,6-8H2,(H,17,18)