(4S)-5-[methoxy(oxidanyl)methylidene]-4-(2-methylphenyl)-2-methylsulfanyl-6-oxidanylidene-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-5-[methoxy(oxidanyl)methylidene]-4-(2-methylphenyl)-2-methylsulfanyl-6-oxidanylidene-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-[hydroxy(methoxy)methylene]-2-methylsulfanyl-4-(o-tolyl)-6-oxo-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-[hydroxy(methoxy)methylidene]-4-(2-methylphenyl)-2-(methylthio)-6-oxo-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-[hydroxy(methoxy)methylidene]-4-(2-methylphenyl)-2-methylsulfanyl-6-oxo-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-[hydroxy(methoxy)methylene]-6-keto-2-(methylthio)-4-(o-tolyl)-1,4-dihydropyridine-3-carbonitrile Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=O)C2=C(O)OC)SC)C#N

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C(=C(NC(=O)C2=C(O)OC)SC)C#N

InChI

InChI=1S/C16H16N2O3S/c1-9-6-4-5-7-10(9)12-11(8-17)15(22-3)18-14(19)13(12)16(20)21-2/h4-7,12,20H,1-3H3,(H,18,19)/t12-/m1/s1