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

Systemtic Name: [(4S)-5-cyano-4-(4-ethylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-benzylsulfanyl-5-cyano-4-(4-ethylphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4S)-5-cyano-4-(4-ethylphenyl)-2-oxo-6-(phenylmethylthio)-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-6-benzylsulfanyl-5-cyano-4-(4-ethylphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-(benzylthio)-5-cyano-4-(4-ethylphenyl)-2-keto-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C23H21N2O3S- MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C(=C(NC(=O)C2=C([O-])OC)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O3S/c1-3-15-9-11-17(12-10-15)19-18(13-24)22(25-21(26)20(19)23(27)28-2)29-14-16-7-5-4-6-8-16/h4-12,19,27H,3,14H2,1-2H3,(H,25,26)/p-1/t19-/m1/s1