prop-2-enyl 5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-6-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-6-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-(2-oxo-2-propoxy-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[(2-oxo-2-propoxyethyl)thio]-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-(2-oxo-2-propoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-6-[(2-keto-2-propoxy-ethyl)thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N

InChI

InChI=1S/C23H26N2O6S/c1-5-9-30-19(27)13-32-22-16(12-24)21(15-7-8-17(26)18(11-15)29-4)20(14(3)25-22)23(28)31-10-6-2/h6-8,11,21,25-26H,2,5,9-10,13H2,1,3-4H3