(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[(4-nitrophenyl)methoxycarbonyl-phenyl-amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[(4-nitrophenyl)methoxycarbonyl-phenyl-amino]methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[N-[(4-nitrophenyl)methoxycarbonyl]anilino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(N-[(4-nitrophenyl)methoxy-oxomethyl]anilino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[N-[(4-nitrophenyl)methoxycarbonyl]anilino]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(N-(4-nitrobenzyl)oxycarbonylanilino)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C29H28N4O9S MolecularWeight: 608.61902

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

InChI

InChI=1S/C29H28N4O9S/c1-20(34)43-27-15-26(31(17-27)29(36)42-19-22-9-13-25(14-10-22)33(39)40)16-30(23-5-3-2-4-6-23)28(35)41-18-21-7-11-24(12-8-21)32(37)38/h2-14,26-27H,15-19H2,1H3