dipropan-2-yl 4-(2-ethoxy-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-ethoxy-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-ethoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-(2-ethoxy-6-pentadecylphenyl)-1,2-dimethyl-6-(6-methyl-2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-2-(2-mercapto-6-methyl-2,3-dihydrobenzimidazol-1-yl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C46H69N3O5S MolecularWeight: 776.12216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)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)OCC)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/C46H69N3O5S/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-25-35-26-24-27-38(52-11-2)40(35)41-39(44(50)53-31(3)4)34(8)48(9)43(42(41)45(51)54-32(5)6)49-37-30-33(7)28-29-36(37)47-46(49)55/h24,26-32,41,46-47,55H,10-23,25H2,1-9H3