(4-nitrophenyl)methyl 2-(1,2,4-oxadiazol-5-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,2,4-oxadiazol-5-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1,2,4-oxadiazol-5-yl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1,2,4-oxadiazol-5-yl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,2,4-oxadiazol-5-yl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(1,2,4-oxadiazol-5-yl)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C33H28N4O5S MolecularWeight: 592.66422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2=NC=NO2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CN(C1C2=NC=NO2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H28N4O5S/c38-32(41-22-24-16-18-28(19-17-24)37(39)40)36-21-29(20-30(36)31-34-23-35-42-31)43-33(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,23,29-30H,20-22H2