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

Systemtic Name: [(4S)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-prop-2-enylsulfanyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4S)-6-allylsulfanyl-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-(prop-2-enylthio)-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-prop-2-enylsulfanyl-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4S)-6-(allylthio)-4-(4-chlorophenyl)-5-cyano-2-keto-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C17H14ClN2O3S- MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O3S/c1-3-8-24-16-12(9-19)13(10-4-6-11(18)7-5-10)14(15(21)20-16)17(22)23-2/h3-7,13,22H,1,8H2,2H3,(H,20,21)/p-1/t13-/m1/s1