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

Systemtic Name: diethyl 1,2-dimethyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-mercapto-2,3-dihydrobenzimidazol-1-yl)-1,6-dimethyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,2-dimethyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-(2-mercapto-2,3-dihydrobenzimidazol-1-yl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C44H65N3O5S MolecularWeight: 748.069

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C44H65N3O5S/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-26-33-27-25-30-36(52-31(4)5)38(33)39-37(42(48)50-9-2)32(6)46(7)41(40(39)43(49)51-10-3)47-35-29-24-23-28-34(35)45-44(47)53/h23-25,27-31,39,44-45,53H,8-22,26H2,1-7H3