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

Systemtic Name: dipropan-2-yl 1,2-dimethyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-1,2-dimethyl-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(2-mercapto-2,3-dihydrobenzimidazol-1-yl)-1,6-dimethyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 1,2-dimethyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-6-(2-sulfanyl-2,3-dihydrobenzimidazol-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-(2-mercapto-2,3-dihydrobenzimidazol-1-yl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C46H69N3O5S MolecularWeight: 776.12216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(N(C(=C2C(=O)OC(C)C)N3C(NC4=CC=CC=C43)S)C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(N(C(=C2C(=O)OC(C)C)N3C(NC4=CC=CC=C43)S)C)C)C(=O)OC(C)C

InChI

InChI=1S/C46H69N3O5S/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35-27-25-30-38(52-31(2)3)40(35)41-39(44(50)53-32(4)5)34(8)48(9)43(42(41)45(51)54-33(6)7)49-37-29-24-23-28-36(37)47-46(49)55/h23-25,27-33,41,46-47,55H,10-22,26H2,1-9H3