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

Systemtic Name: ethyl 1-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-3-32-27(23-14-9-6-10-15-23)26(22-12-7-5-8-13-22)30-29(32)36-21-11-16-25(33)31-19-17-24(18-20-31)28(34)35-4-2/h5-10,12-15,24H,3-4,11,16-21H2,1-2H3