ethyl 1-[2-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(1-methyl-4,5-diphenyl-imidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(1-methyl-4,5-diphenyl-2-imidazolyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(1-methyl-4,5-diphenyl-imidazol-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N2C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N2C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-3-32-25(31)21-15-10-16-29(17-21)22(30)18-33-26-27-23(19-11-6-4-7-12-19)24(28(26)2)20-13-8-5-9-14-20/h4-9,11-14,21H,3,10,15-18H2,1-2H3