(4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonylamino]ethoxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonylamino]ethoxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonylamino]ethoxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethoxymethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonylamino]ethoxymethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[2-[(4-nitrobenzyl)oxycarbonylamino]ethoxymethyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H26N4O9S MolecularWeight: 534.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1COCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C23H26N4O9S/c28-22(35-13-16-1-5-18(6-2-16)26(30)31)24-9-10-34-15-20-11-21(37)12-25(20)23(29)36-14-17-3-7-19(8-4-17)27(32)33/h1-8,20-21,37H,9-15H2,(H,24,28)