propan-2-yl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-4-(4-isopropylphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-p-cumenyl-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-12(2)15-7-9-16(10-8-15)19-17(11-22)20(26-6)23-14(5)18(19)21(24)25-13(3)4/h7-10,12-13,19,23H,1-6H3