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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=CC=CC=C43)S)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=CC=CC=C43)S)C)C)C(=O)OCC

InChI

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