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

Systemtic Name: dipropan-2-yl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-(2-ethoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C46H67N3O5S MolecularWeight: 774.10628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC(C)C)CN3C4=C(C=C(C=C4)C)NC3=S)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=C2C(=O)OC(C)C)CN3C4=C(C=C(C=C4)C)NC3=S)C)C(=O)OC(C)C

InChI

InChI=1S/C46H67N3O5S/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-24-35-25-23-26-39(52-10-2)41(35)43-40(44(50)53-31(3)4)34(8)47-37(42(43)45(51)54-32(5)6)30-49-38-28-27-33(7)29-36(38)48-46(49)55/h23,25-29,31-32,43,47H,9-22,24,30H2,1-8H3,(H,48,55)