dipropan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dipropan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C44H63N3O5S MolecularWeight: 746.05312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H63N3O5S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-25-23-28-37(50-7)39(33)41-38(42(48)51-30(2)3)32(6)45-36(40(41)43(49)52-31(4)5)29-53-44-46-34-26-21-22-27-35(34)47-44/h21-23,25-28,30-31,41,45H,8-20,24,29H2,1-7H3,(H,46,47)