6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-5-methoxycarbonyl-4-(2-methoxy-6-pentadecylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methoxycarbonyl-4-(2-methoxy-6-pentadecylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-5-carbomethoxy-4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C39H53N3O5S MolecularWeight: 675.92022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H53N3O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-22-20-25-32(46-3)34(28)36-33(37(43)44)27(2)40-31(35(36)38(45)47-4)26-48-39-41-29-23-18-19-24-30(29)42-39/h18-20,22-25,36,40H,5-17,21,26H2,1-4H3,(H,41,42)(H,43,44)