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

Systemtic Name: [(4S)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-benzylsulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-(phenylmethylthio)-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-benzylsulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-(benzylthio)-4-(4-chlorophenyl)-5-cyano-2-keto-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C21H16ClN2O3S- MolecularWeight: 411.88134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S/c1-27-21(26)18-17(14-7-9-15(22)10-8-14)16(11-23)20(24-19(18)25)28-12-13-5-3-2-4-6-13/h2-10,17,26H,12H2,1H3,(H,24,25)/p-1/t17-/m1/s1