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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[2-[(4-nitrophenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-[(4-nitrophenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-[(4-nitrophenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[2-[(4-nitrobenzyl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H28N4O9S MolecularWeight: 560.57622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O9S/c1-16(26-24(31)37-14-18-3-7-20(8-4-18)28(33)34)11-22-12-23(39-17(2)30)13-27(22)25(32)38-15-19-5-9-21(10-6-19)29(35)36/h3-10,16,22-23H,11-15H2,1-2H3,(H,26,31)