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

Systemtic Name: ethyl 1-[5-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate CAS Name: 1-[5-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate Traditional Name: 1-[5-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]pentanoyl]isonipecotic acid ethyl ester Formula: C30H37N3O3S MolecularWeight: 519.69808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3O3S/c1-3-33-28(24-15-9-6-10-16-24)27(23-13-7-5-8-14-23)31-30(33)37-22-12-11-17-26(34)32-20-18-25(19-21-32)29(35)36-4-2/h5-10,13-16,25H,3-4,11-12,17-22H2,1-2H3