ethyl 1-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C33H35N3O3S MolecularWeight: 553.7143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H35N3O3S/c1-2-39-32(38)27-20-22-35(23-21-27)29(37)19-12-24-40-33-34-30(25-13-6-3-7-14-25)31(26-15-8-4-9-16-26)36(33)28-17-10-5-11-18-28/h3-11,13-18,27H,2,12,19-24H2,1H3