[2-[[6-methoxy-7-[2,2,2-tris(fluoranyl)ethoxy]isoquinolin-1-yl]methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-[[6-methoxy-7-[2,2,2-tris(fluoranyl)ethoxy]isoquinolin-1-yl]methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-[[6-methoxy-7-(2,2,2-trifluoroethoxy)-1-isoquinolyl]methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[6-methoxy-7-(2,2,2-trifluoroethoxy)-1-isoquinolinyl]methylsulfinyl]-1-benzimidazolyl]methyl ester IUPAC Name: [2-[[6-methoxy-7-(2,2,2-trifluoroethoxy)isoquinolin-1-yl]methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[6-methoxy-7-(2,2,2-trifluoroethoxy)-1-isoquinolyl]methylsulfinyl]benzimidazol-1-yl]methyl ester Formula: C26H26F3N3O5S MolecularWeight: 549.56195

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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)OCC(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26F3N3O5S/c1-25(2,3)23(33)37-15-32-20-8-6-5-7-18(20)31-24(32)38(34)13-19-17-12-22(36-14-26(27,28)29)21(35-4)11-16(17)9-10-30-19/h5-12H,13-15H2,1-4H3