diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecylphenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-methoxy-6-pentadecylphenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecyl-phenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C43H63N3O5S MolecularWeight: 734.04242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OCC

InChI

InChI=1S/C43H63N3O5S/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-24-32-25-23-26-35(49-7)37(32)38-36(41(47)50-9-2)31(5)45(6)40(39(38)42(48)51-10-3)46-34-29-30(4)27-28-33(34)44-43(46)52/h23,25-29,38,43-44,52H,8-22,24H2,1-7H3