[2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-[(6,7-dimethoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(6,7-dimethoxy-1-isoquinolinyl)methylsulfinyl]-1-benzimidazolyl]methyl ester IUPAC Name: [2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[(6,7-dimethoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]methyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C25H27N3O5S/c1-25(2,3)23(29)33-15-28-20-9-7-6-8-18(20)27-24(28)34(30)14-19-17-13-22(32-5)21(31-4)12-16(17)10-11-26-19/h6-13H,14-15H2,1-5H3