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

Systemtic Name: dipropan-2-yl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisopropyl 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-methoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-(2-methoxy-6-pentadecylphenyl)-2-methyl-6-[(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-methoxy-6-pentadecyl-phenyl)-2-methyl-6-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester Formula: C45H65N3O5S MolecularWeight: 760.0797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=C2C(=O)OC(C)C)CN3C4=C(C=C(C=C4)C)NC3=S)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=C2C(=O)OC(C)C)CN3C4=C(C=C(C=C4)C)NC3=S)C)C(=O)OC(C)C

InChI

InChI=1S/C45H65N3O5S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34-24-22-25-38(51-8)40(34)42-39(43(49)52-30(2)3)33(7)46-36(41(42)44(50)53-31(4)5)29-48-37-27-26-32(6)28-35(37)47-45(48)54/h22,24-28,30-31,42,46H,9-21,23,29H2,1-8H3,(H,47,54)