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

Systemtic Name: 4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(3-ethoxy-4-hydroxy-phenyl)-2-oxo-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-6-(phenethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-(phenethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCCC3=CC=CC=C3)O

InChI

InChI=1S/C22H22N2O3S/c1-2-27-20-12-16(8-9-19(20)25)17-13-21(26)24-22(18(17)14-23)28-11-10-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13H2,1H3,(H,24,26)