[(4R)-4-(2-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate

Systemtic Name: [(4R)-4-(2-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4R)-4-(2-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4R)-4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4R)-4-(2-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4R)-4-(2-chlorophenyl)-5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C17H14ClN2O5S- MolecularWeight: 393.82146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(C(=C([O-])OC)C(=O)N1)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

COC(=O)CSC1=C([C@@H](C(=C([O-])OC)C(=O)N1)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C17H15ClN2O5S/c1-24-12(21)8-26-16-10(7-19)13(9-5-3-4-6-11(9)18)14(15(22)20-16)17(23)25-2/h3-6,13,23H,8H2,1-2H3,(H,20,22)/p-1/t13-/m0/s1