dimethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C41H57N3O5S MolecularWeight: 703.97338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC)CN3C4=CC=CC=C4NC3=S)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC)CN3C4=CC=CC=C4NC3=S)C)C(=O)OC

InChI

InChI=1S/C41H57N3O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-30-24-22-27-34(49-7-2)36(30)38-35(39(45)47-4)29(3)42-32(37(38)40(46)48-5)28-44-33-26-21-20-25-31(33)43-41(44)50/h20-22,24-27,38,42H,6-19,23,28H2,1-5H3,(H,43,50)