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

Systemtic Name: O3-methyl O5-propan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)pyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)pyridine-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)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)pyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-pyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-methyl ester Formula: C44H61N3O5S MolecularWeight: 744.03724

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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)OC(C)C

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)OC(C)C

InChI

InChI=1S/C44H61N3O5S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-25-23-28-37(51-30(2)3)39(33)41-38(43(49)52-31(4)5)32(6)45-36(40(41)42(48)50-7)29-53-44-46-34-26-21-22-27-35(34)47-44/h21-23,25-28,30-31H,8-20,24,29H2,1-7H3,(H,46,47)