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

Systemtic Name: 4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-benzylsulfanyl-4-(3-ethoxy-4-hydroxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(benzylthio)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-2-26-19-10-15(8-9-18(19)24)16-11-20(25)23-21(17(16)12-22)27-13-14-6-4-3-5-7-14/h3-10,16,24H,2,11,13H2,1H3,(H,23,25)