(4-nitrophenyl)methyl (2S,4S)-2-(2-methyl-1,2,3,4-tetrazol-5-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-(2-methyl-1,2,3,4-tetrazol-5-yl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-(2-methyltetrazol-5-yl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-(2-methyl-5-tetrazolyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(2-methyltetrazol-5-yl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(2-methyltetrazol-5-yl)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C33H30N6O4S MolecularWeight: 606.6941

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1N=C(N=N1)[C@@H]2C[C@@H](CN2C(=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/C33H30N6O4S/c1-37-35-31(34-36-37)30-21-29(22-38(30)32(40)43-23-24-17-19-28(20-18-24)39(41)42)44-33(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,29-30H,21-23H2,1H3/t29-,30-/m0/s1