1-[2-(cyanomethylsulfanyl)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)benzoyl]proline Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2SCC#N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CC=C2SCC#N)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c15-7-9-20-12-6-2-1-4-10(12)13(17)16-8-3-5-11(16)14(18)19/h1-2,4,6,11H,3,5,8-9H2,(H,18,19)