(4-nitrophenyl)methyl 2-cyano-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-cyano-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-cyano-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-cyano-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C32H27N3O4S MolecularWeight: 549.63948

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CN(C1C#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H27N3O4S/c33-21-29-20-30(22-34(29)31(36)39-23-24-16-18-28(19-17-24)35(37)38)40-32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,29-30H,20,22-23H2