methyl 5-cyano-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-6-(3-pyridylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(3-pyridinylmethylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(3-pyridylmethylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C24H25N3O5S/c1-14-20(24(28)32-5)21(16-9-18(29-2)22(31-4)19(10-16)30-3)17(11-25)23(27-14)33-13-15-7-6-8-26-12-15/h6-10,12,21,27H,13H2,1-5H3