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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[1-[(4-nitrophenyl)methoxycarbonyl]azetidin-3-yl]-oxidanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy-[1-[(4-nitrophenyl)methoxycarbonyl]azetidin-3-yl]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[hydroxy-[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-azetidinyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy-[1-[(4-nitrophenyl)methoxycarbonyl]azetidin-3-yl]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[hydroxy-[1-(4-nitrobenzyl)oxycarbonylazetidin-3-yl]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H28N4O10S MolecularWeight: 588.58632

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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-])C(C3CN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3CN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C26H28N4O10S/c1-16(31)41-22-10-23(28(13-22)26(34)40-15-18-4-8-21(9-5-18)30(37)38)24(32)19-11-27(12-19)25(33)39-14-17-2-6-20(7-3-17)29(35)36/h2-9,19,22-24,32H,10-15H2,1H3