tert-butyl 3-[2-[1-(triphenylmethyl)imidazol-4-yl]ethanethioylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[1-(triphenylmethyl)imidazol-4-yl]ethanethioylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(1-tritylimidazol-4-yl)ethanethioyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[1-sulfanylidene-2-[1-(triphenylmethyl)-4-imidazolyl]ethyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(1-tritylimidazol-4-yl)ethanethioyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[2-(1-tritylimidazol-4-yl)thioacetyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C33H36N4O2S MolecularWeight: 552.72954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC(=S)CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)NC(=S)CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O2S/c1-32(2,3)39-31(38)36-20-19-28(22-36)35-30(40)21-29-23-37(24-34-29)33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24,28H,19-22H2,1-3H3,(H,35,40)