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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[5-[(4-nitrophenyl)methoxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[5-[(4-nitrophenyl)methoxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[5-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1,3-dioxan-2-yl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[5-[(4-nitrophenyl)methoxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[5-[(4-nitrobenzyl)oxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H28N4O11S MolecularWeight: 604.58572

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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-])C3OCC(CO3)NC(=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-])C3OCC(CO3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O11S/c1-16(31)42-22-10-23(28(11-22)26(33)41-13-18-4-8-21(9-5-18)30(36)37)24-38-14-19(15-39-24)27-25(32)40-12-17-2-6-20(7-3-17)29(34)35/h2-9,19,22-24H,10-15H2,1H3,(H,27,32)