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

Systemtic Name: (4S)-5-[methoxy(oxidanyl)methylidene]-6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-2-benzylsulfanyl-5-[hydroxy(methoxy)methylene]-6-oxo-4-phenyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-[hydroxy(methoxy)methylidene]-6-oxo-4-phenyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-2-benzylsulfanyl-5-[hydroxy(methoxy)methylidene]-6-oxo-4-phenyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-2-(benzylthio)-5-[hydroxy(methoxy)methylene]-6-keto-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3)O

Isomeric SMILES

COC(=C1[C@@H](C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3)O

InChI

InChI=1S/C21H18N2O3S/c1-26-21(25)18-17(15-10-6-3-7-11-15)16(12-22)20(23-19(18)24)27-13-14-8-4-2-5-9-14/h2-11,17,25H,13H2,1H3,(H,23,24)/t17-/m1/s1