4-(4-ethoxy-3-methoxy-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(4-ethoxy-3-methoxy-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-benzylsulfanyl-4-(4-ethoxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(4-ethoxy-3-methoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(benzylthio)-4-(4-ethoxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N2O3S/c1-3-27-19-10-9-16(11-20(19)26-2)17-12-21(25)24-22(18(17)13-23)28-14-15-7-5-4-6-8-15/h4-11,17H,3,12,14H2,1-2H3,(H,24,25)