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

diethyl 4-(2-ethoxy-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-ethoxy-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-ethoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate
CAS Name:4-(2-ethoxy-6-pentadecylphenyl)-2-(2-mercapto-6-methyl-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-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate
Traditional Name:4-(2-ethoxy-6-pentadecyl-phenyl)-2-(2-mercapto-6-methyl-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)OCC)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)OCC)C2C(=C(N(C(=C2C(=O)OCC)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OCC


InChI

InChI=1S/C44H65N3O5S/c1-8-12-13-14-15-16-17-18-19-20-21-22-23-25-33-26-24-27-36(50-9-2)38(33)39-37(42(48)51-10-3)32(6)46(7)41(40(39)43(49)52-11-4)47-35-30-31(5)28-29-34(35)45-44(47)53/h24,26-30,39,44-45,53H,8-23,25H2,1-7H3


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