[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-25-14-5-2-4-13(9-14)20-10-12(8-16(20)22)17(23)24-11-15(21)19-7-3-6-18/h2,4-5,9,12H,3,7-8,10-11H2,1H3,(H,19,21)/t12-/m0/s1