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

Systemtic Name: (4-nitrophenyl)methyl 2-ethanoylsulfanyl-2-[5-[(4-nitrophenyl)methoxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-acetylsulfanyl-2-[5-[(4-nitrophenyl)methoxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-(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 2-acetylsulfanyl-2-[5-[(4-nitrophenyl)methoxycarbonylamino]-1,3-dioxan-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-(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)SC1(CCCN1C(=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)SC1(CCCN1C(=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/c1-17(31)42-26(11-2-12-28(26)25(33)41-14-19-5-9-22(10-6-19)30(36)37)23-38-15-20(16-39-23)27-24(32)40-13-18-3-7-21(8-4-18)29(34)35/h3-10,20,23H,2,11-16H2,1H3,(H,27,32)