(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(naphthalen-1-ylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(naphthalen-1-ylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-naphthylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-naphthalenylmethyl)-4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(naphthalen-1-ylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1-naphthylmethyl)-4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C34H32N4O9S MolecularWeight: 672.70428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43)CNC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1(CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43)CNC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H32N4O9S/c1-23(39)48-34(21-35-32(40)46-19-24-9-13-28(14-10-24)37(42)43)18-30(17-27-7-4-6-26-5-2-3-8-31(26)27)36(22-34)33(41)47-20-25-11-15-29(16-12-25)38(44)45/h2-16,30H,17-22H2,1H3,(H,35,40)