2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(2-ethylphenyl)acetamide Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H27N3O3S/c1-2-21-10-6-7-11-26(21)31-28(34)19-36-29-25(17-30)24(16-27(33)32-29)22-12-14-23(15-13-22)35-18-20-8-4-3-5-9-20/h3-15,24H,2,16,18-19H2,1H3,(H,31,34)(H,32,33)