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

Systemtic Name: [(4R)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Openeye Name: [(4R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-(2-oxo-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate CAS Name: [(4R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-[(2-oxo-2-propoxyethyl)thio]-1,4-dihydropyridin-3-ylidene]-methoxymethanolate IUPAC Name: [(4R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-(2-oxo-2-propoxyethyl)sulfanyl-1,4-dihydropyridin-3-ylidene]-methoxymethanolate Traditional Name: [(4R)-4-(4-chlorophenyl)-5-cyano-2-keto-6-[(2-keto-2-propoxy-ethyl)thio]-1,4-dihydropyridin-3-ylidene]-methoxy-methanolate Formula: C19H18ClN2O5S- MolecularWeight: 421.87462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(C(=C([O-])OC)C(=O)N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c1-3-8-27-14(23)10-28-18-13(9-21)15(11-4-6-12(20)7-5-11)16(17(24)22-18)19(25)26-2/h4-7,15,25H,3,8,10H2,1-2H3,(H,22,24)/p-1/t15-/m0/s1