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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H28N4O9S MolecularWeight: 572.58692

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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-])C3CCN(C3)C(=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-])C3CCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O9S/c1-17(31)40-23-12-24(28(14-23)26(33)39-16-19-4-8-22(9-5-19)30(36)37)20-10-11-27(13-20)25(32)38-15-18-2-6-21(7-3-18)29(34)35/h2-9,20,23-24H,10-16H2,1H3