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

Systemtic Name: diethyl 1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-isopropoxy-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)-1,6-dimethyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-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: C45H67N3O5S MolecularWeight: 762.09558

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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=C3C=C(C=C4)C)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=C3C=C(C=C4)C)S)C)C)C(=O)OCC

InChI

InChI=1S/C45H67N3O5S/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-25-34-26-24-27-37(53-31(4)5)39(34)40-38(43(49)51-10-2)33(7)47(8)42(41(40)44(50)52-11-3)48-36-30-32(6)28-29-35(36)46-45(48)54/h24,26-31,40,45-46,54H,9-23,25H2,1-8H3