[(4S)-5-cyano-2-oxidanylidene-4-phenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate

Systemtic Name: [(4S)-5-cyano-2-oxidanylidene-4-phenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-benzylsulfanyl-5-cyano-2-oxo-4-phenyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-2-oxo-4-phenyl-6-(phenylmethylthio)-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-benzylsulfanyl-5-cyano-2-oxo-4-phenyl-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-(benzylthio)-5-cyano-2-keto-4-phenyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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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)/p-1/t17-/m1/s1