(4-nitrophenyl)methyl 2-[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-2-methanethioyl-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-2-methanethioyl-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-acetoxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-4-hydroxy-2-methanethioyl-pyrrolidine-1-carboxylate CAS Name: 2-[2-acetyloxy-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]-4-hydroxy-2-methanethioyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-4-hydroxy-2-methanethioylpyrrolidine-1-carboxylate Traditional Name: 2-[2-acetoxy-3-[(4-nitrobenzyl)oxycarbonylamino]propyl]-4-hydroxy-2-thioformyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H28N4O11S MolecularWeight: 604.58572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)C=S)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)C=S)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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