cyanomethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: cyanomethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: cyanomethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid cyanomethyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC#N

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OCC#N

InChI

InChI=1S/C14H14N2O3S/c1-20-12-4-2-3-11(8-12)16-9-10(7-13(16)17)14(18)19-6-5-15/h2-4,8,10H,6-7,9H2,1H3/t10-/m0/s1