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

Systemtic Name: O5-ethyl O3-(3-pyridin-3-ylprop-2-ynyl) 2-methyl-4-phenethyl-6-(4-thiophen-3-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-[3-(3-pyridyl)prop-2-ynyl] 2-methyl-4-phenethyl-6-[4-(3-thienyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-phenethyl-6-[4-(3-thiophenyl)phenyl]-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-4-phenethyl-6-(4-thiophen-3-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-phenethyl-6-[4-(3-thienyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C36H32N2O4S MolecularWeight: 588.71528

Click to see the large picture

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)C5=CSC=C5

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)C5=CSC=C5

InChI

InChI=1S/C36H32N2O4S/c1-3-41-36(40)33-31(18-13-26-9-5-4-6-10-26)32(35(39)42-21-8-12-27-11-7-20-37-23-27)25(2)38-34(33)29-16-14-28(15-17-29)30-19-22-43-24-30/h4-7,9-11,14-17,19-20,22-24,31,38H,3,13,18,21H2,1-2H3