(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxidanylidene-pyrrolidin-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxidanylidene-pyrrolidin-3-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxo-pyrrolidin-3-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-5-oxo-3-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-[(4-nitrophenyl)methoxycarbonylamino]-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[5-keto-4-[(4-nitrobenzyl)oxycarbonylamino]pyrrolidin-3-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H27N5O10S MolecularWeight: 601.58508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CNC(=O)C3NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CNC(=O)C3NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O10S/c1-15(32)42-20-10-22(29(12-20)26(35)41-14-17-4-8-19(9-5-17)31(38)39)21-11-27-24(33)23(21)28-25(34)40-13-16-2-6-18(7-3-16)30(36)37/h2-9,20-23H,10-14H2,1H3,(H,27,33)(H,28,34)