tert-butyl 2-(benzotriazol-1-ylcarbonyl)-3-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(benzotriazol-1-ylcarbonyl)-3-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(benzotriazole-1-carbonyl)-3-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[1-benzotriazolyl(oxo)methyl]-3-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzotriazole-1-carbonyl)-3-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(benzotriazole-1-carbonyl)-3-(tritylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C35H34N4O3S MolecularWeight: 590.73446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C(=O)N2C3=CC=CC=C3N=N2)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1C(=O)N2C3=CC=CC=C3N=N2)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H34N4O3S/c1-34(2,3)42-33(41)38-24-23-30(31(38)32(40)39-29-22-14-13-21-28(29)36-37-39)43-35(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-22,30-31H,23-24H2,1-3H3