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

Systemtic Name: prop-2-enyl (4S)-3-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4S)-3-cyano-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-2-[(2-ethoxy-2-oxoethyl)thio]-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-3-cyano-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-cyano-2-[(2-ethoxy-2-keto-ethyl)thio]-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC(=C(C=C2)O)OC)C(=O)OCC=C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CC(=C(C=C2)O)OC)C(=O)OCC=C)C

InChI

InChI=1S/C22H24N2O6S/c1-5-9-30-22(27)19-13(3)24-21(31-12-18(26)29-6-2)15(11-23)20(19)14-7-8-16(25)17(10-14)28-4/h5,7-8,10,15,20,25H,1,6,9,12H2,2-4H3/t15?,20-/m1/s1