methyl 1-[2-(cyanomethylsulfanyl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-(cyanomethylsulfanyl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(cyanomethylsulfanyl)benzoyl]pyrrolidine-2-carboxylate CAS Name: 1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(cyanomethylsulfanyl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(cyanomethylthio)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C15H16N2O3S/c1-20-15(19)12-6-4-9-17(12)14(18)11-5-2-3-7-13(11)21-10-8-16/h2-3,5,7,12H,4,6,9-10H2,1H3