(phenylmethyl) 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-15-21(25(28)32-14-16-9-7-6-8-10-16)22(18(13-26)24(27-15)33-5)17-11-19(29-2)23(31-4)20(12-17)30-3/h6-12,22,27H,14H2,1-5H3