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

Systemtic Name: O3-ethyl O5-propan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-isopropyl 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 O3-ethyl ester O5-propan-2-yl ester IUPAC Name: 3-O-ethyl 5-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-ethyl ester O5-isopropyl ester Formula: C44H61N3O5S MolecularWeight: 744.03724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C44H61N3O5S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-25-33-26-24-29-37(50-8-2)39(33)41-38(43(49)52-31(4)5)32(6)45-36(40(41)42(48)51-9-3)30-53-44-46-34-27-22-23-28-35(34)47-44/h22-24,26-29,31H,7-21,25,30H2,1-6H3,(H,46,47)