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

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxyphenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC=C

InChI

InChI=1S/C25H24N2O3S/c1-4-14-29-25(28)22-17(2)27-24(31-3)21(15-26)23(22)19-10-12-20(13-11-19)30-16-18-8-6-5-7-9-18/h4-13,23,27H,1,14,16H2,2-3H3