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

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

CCC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)NC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)NC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O9S/c1-3-21(26-24(31)37-15-18-6-4-5-7-22(18)29(35)36)23-12-20(39-16(2)30)13-27(23)25(32)38-14-17-8-10-19(11-9-17)28(33)34/h4-11,20-21,23H,3,12-15H2,1-2H3,(H,26,31)