ethyl 8-(2-octylsulfanyl-4,5-diphenyl-imidazol-1-yl)octanoate

Systemtic Name: ethyl 8-(2-octylsulfanyl-4,5-diphenyl-imidazol-1-yl)octanoate Openeye Name: ethyl 8-(2-octylsulfanyl-4,5-diphenyl-imidazol-1-yl)octanoate CAS Name: 8-[2-(octylthio)-4,5-diphenyl-1-imidazolyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-(2-octylsulfanyl-4,5-diphenylimidazol-1-yl)octanoate Traditional Name: 8-[2-(octylthio)-4,5-diphenyl-imidazol-1-yl]caprylic acid ethyl ester Formula: C33H46N2O2S MolecularWeight: 534.79554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=C(N1CCCCCCCC(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCSC1=NC(=C(N1CCCCCCCC(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C33H46N2O2S/c1-3-5-6-7-11-20-27-38-33-34-31(28-21-14-12-15-22-28)32(29-23-16-13-17-24-29)35(33)26-19-10-8-9-18-25-30(36)37-4-2/h12-17,21-24H,3-11,18-20,25-27H2,1-2H3