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

Systemtic Name: ethyl 1-[2-(1,4-diphenylimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1,4-diphenyl-2-imidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1,4-diphenylimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-2-31-24(30)20-13-15-27(16-14-20)23(29)18-32-25-26-22(19-9-5-3-6-10-19)17-28(25)21-11-7-4-8-12-21/h3-12,17,20H,2,13-16,18H2,1H3