[2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: [2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: [2-[[1,1-dimethyl-2-[(4-nitrophenyl)methoxycarbonylamino]ethoxy]methyl]-4-nitro-phenyl]methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid [2-[[2-methyl-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propan-2-yl]oxymethyl]-4-nitrophenyl]methyl ester IUPAC Name: [2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-nitrophenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid [2-[[1,1-dimethyl-2-[(4-nitrobenzyl)oxycarbonylamino]ethoxy]methyl]-4-nitro-benzyl] ester Formula: C25H28N4O9S MolecularWeight: 560.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)[N+](=O)[O-])COC(=O)N3CCCC3=S

Isomeric SMILES

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)[N+](=O)[O-])COC(=O)N3CCCC3=S

InChI

InChI=1S/C25H28N4O9S/c1-25(2,16-26-23(30)36-13-17-5-8-20(9-6-17)28(32)33)38-15-19-12-21(29(34)35)10-7-18(19)14-37-24(31)27-11-3-4-22(27)39/h5-10,12H,3-4,11,13-16H2,1-2H3,(H,26,30)