dipropan-2-yl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dipropan-2-yl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-methoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecylphenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-(2-methoxy-6-pentadecylphenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-4-(2-methoxy-6-pentadecyl-phenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C45H67N3O5S MolecularWeight: 762.09558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(N(C(=C2C(=O)OC(C)C)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(N(C(=C2C(=O)OC(C)C)N3C(NC4=C3C=C(C=C4)C)S)C)C)C(=O)OC(C)C

InChI

InChI=1S/C45H67N3O5S/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-24-34-25-23-26-37(51-9)39(34)40-38(43(49)52-30(2)3)33(7)47(8)42(41(40)44(50)53-31(4)5)48-36-29-32(6)27-28-35(36)46-45(48)54/h23,25-31,40,45-46,54H,10-22,24H2,1-9H3