(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[1-[(2-methyl-3-nitro-phenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[1-[(2-methyl-3-nitro-phenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-[(2-methyl-3-nitro-phenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[1-[[(2-methyl-3-nitrophenyl)methoxy-oxomethyl]amino]propyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-[(2-methyl-3-nitrophenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[1-[(2-methyl-3-nitro-benzyl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H30N4O9S MolecularWeight: 574.6028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O9S/c1-4-22(27-25(32)38-15-19-6-5-7-23(16(19)2)30(36)37)24-12-21(40-17(3)31)13-28(24)26(33)39-14-18-8-10-20(11-9-18)29(34)35/h5-11,21-22,24H,4,12-15H2,1-3H3,(H,27,32)