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

Systemtic Name: ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1,4,5-triphenyl-2-imidazolyl)thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1,4,5-triphenylimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-2-37-30(36)25-18-20-33(21-19-25)27(35)22-38-31-32-28(23-12-6-3-7-13-23)29(24-14-8-4-9-15-24)34(31)26-16-10-5-11-17-26/h3-17,25H,2,18-22H2,1H3