(4-nitrophenyl)methyl 2-[3-(cyanomethylamino)-3-oxidanylidene-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(cyanomethylamino)-3-oxidanylidene-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(cyanomethylamino)-3-oxo-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[3-(cyanomethylamino)-1-mercapto-3-oxopropyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(cyanomethylamino)-3-oxo-1-sulfanylpropyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-(cyanomethylamino)-3-keto-1-mercapto-propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(CC(=O)NCC#N)S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(CC(=O)NCC#N)S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C17H20N4O5S2/c18-5-6-19-16(22)8-15(28)14-7-13(27)9-20(14)17(23)26-10-11-1-3-12(4-2-11)21(24)25/h1-4,13-15,27-28H,6-10H2,(H,19,22)