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

Systemtic Name: prop-2-enyl 5-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 4-(4-benzyloxy-3-methoxy-phenyl)-6-benzylsulfanyl-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-benzylsulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-6-(benzylthio)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C32H30N2O4S MolecularWeight: 538.6566

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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)OC)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)OC)C(=O)OCC=C

InChI

InChI=1S/C32H30N2O4S/c1-4-17-37-32(35)29-22(2)34-31(39-21-24-13-9-6-10-14-24)26(19-33)30(29)25-15-16-27(28(18-25)36-3)38-20-23-11-7-5-8-12-23/h4-16,18,30,34H,1,17,20-21H2,2-3H3