ethyl 1-[2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4E)-4-benzylidene-5-oxo-1-phenyl-imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[[(4E)-5-oxo-1-phenyl-4-(phenylmethylene)-2-imidazolyl]thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4E)-4-benzylidene-5-oxo-1-phenylimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[(4E)-4-benzal-5-keto-1-phenyl-2-imidazolin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC3=CC=CC=C3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=N/C(=C/C3=CC=CC=C3)/C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-2-33-25(32)20-12-9-15-28(17-20)23(30)18-34-26-27-22(16-19-10-5-3-6-11-19)24(31)29(26)21-13-7-4-8-14-21/h3-8,10-11,13-14,16,20H,2,9,12,15,17-18H2,1H3/b22-16+