prop-2-enyl (4R)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4R)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4R)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-2-methyl-6-(methylthio)-4-p-phenetyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SC)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=C2C(=O)OCC=C)C)SC)C#N

InChI

InChI=1S/C20H22N2O3S/c1-5-11-25-20(23)17-13(3)22-19(26-4)16(12-21)18(17)14-7-9-15(10-8-14)24-6-2/h5,7-10,18,22H,1,6,11H2,2-4H3/t18-/m0/s1