O3-methyl O5-propan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-propan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester IUPAC Name: 3-O-methyl 5-O-propan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecylphenyl)-6-methylpyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-methyl ester Formula: C42H57N3O5S MolecularWeight: 715.98408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H57N3O5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-22-27-35(48-5)37(31)39-36(41(47)50-29(2)3)30(4)43-34(38(39)40(46)49-6)28-51-42-44-32-25-20-21-26-33(32)45-42/h20-22,24-27,29H,7-19,23,28H2,1-6H3,(H,44,45)