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

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-4-(4-phenylmethoxyphenyl)-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxyphenyl)-6-benzylsulfanyl-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-(4-phenylmethoxyphenyl)-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-benzylsulfanyl-5-cyano-2-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-6-(benzylthio)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC=C

InChI

InChI=1S/C31H28N2O3S/c1-3-18-35-31(34)28-22(2)33-30(37-21-24-12-8-5-9-13-24)27(19-32)29(28)25-14-16-26(17-15-25)36-20-23-10-6-4-7-11-23/h3-17,29,33H,1,18,20-21H2,2H3