1-[2-(cyanomethylsulfanyl)phenyl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)benzoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)benzoyl]-4-hydroxy-proline Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S/c15-5-6-21-12-4-2-1-3-10(12)13(18)16-8-9(17)7-11(16)14(19)20/h1-4,9,11,17H,6-8H2,(H,19,20)