dipropan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate

Systemtic Name: dipropan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: diisopropyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-ethoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C45H63N3O5S MolecularWeight: 758.06382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2=C(C(=NC(=C2C(=O)OC(C)C)CSC3=NC4=CC=CC=C4N3)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2=C(C(=NC(=C2C(=O)OC(C)C)CSC3=NC4=CC=CC=C4N3)C)C(=O)OC(C)C

InChI

InChI=1S/C45H63N3O5S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-25-34-26-24-29-38(51-9-2)40(34)42-39(43(49)52-31(3)4)33(7)46-37(41(42)44(50)53-32(5)6)30-54-45-47-35-27-22-23-28-36(35)48-45/h22-24,26-29,31-32H,8-21,25,30H2,1-7H3,(H,47,48)