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

Systemtic Name: O5-methyl O3-propan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: O3-isopropyl O5-methyl 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 O5-methyl ester O3-propan-2-yl ester IUPAC Name: 5-O-methyl 3-O-propan-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 O3-isopropyl ester O5-methyl ester Formula: C43H59N3O5S MolecularWeight: 730.01066

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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

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

InChI

InChI=1S/C43H59N3O5S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-24-32-25-23-28-36(50-8-2)38(32)40-37(41(47)49-6)31(5)44-35(39(40)42(48)51-30(3)4)29-52-43-45-33-26-21-22-27-34(33)46-43/h21-23,25-28,30H,7-20,24,29H2,1-6H3,(H,45,46)