6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-2-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)pyridine-3-carboxylic acid

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-2-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)pyridine-3-carboxylic acid Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-isopropoxy-6-pentadecyl-phenyl)-5-methoxycarbonyl-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-5-methoxycarbonyl-2-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-2-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)pyridine-3-carboxylic acid Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-5-carbomethoxy-4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-nicotinic acid Formula: C41H55N3O5S MolecularWeight: 701.9575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H55N3O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30-23-21-26-34(49-28(2)3)36(30)38-35(39(45)46)29(4)42-33(37(38)40(47)48-5)27-50-41-43-31-24-19-20-25-32(31)44-41/h19-21,23-26,28H,6-18,22,27H2,1-5H3,(H,43,44)(H,45,46)