O5-ethyl O3-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-6-(4-methylsulfanylphenyl)-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-6-(4-methylsulfanylphenyl)-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-[3-(3-pyridyl)prop-2-ynyl] 2-methyl-6-(4-methylsulfanylphenyl)-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[4-(methylthio)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[3-(3-pyridinyl)prop-2-ynyl] ester IUPAC Name: 5-O-ethyl 3-O-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-6-(4-methylsulfanylphenyl)-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[4-(methylthio)phenyl]-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C33H32N2O4S MolecularWeight: 552.68318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C33H32N2O4S/c1-4-38-33(37)30-28(19-14-24-10-6-5-7-11-24)29(32(36)39-21-9-13-25-12-8-20-34-22-25)23(2)35-31(30)26-15-17-27(40-3)18-16-26/h5-8,10-12,15-18,20,22,28,35H,4,14,19,21H2,1-3H3