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

Systemtic Name: [2-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-[(6-methoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(6-methoxy-1-isoquinolinyl)methylsulfinyl]-1-benzimidazolyl]methyl ester IUPAC Name: [2-[(6-methoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[(6-methoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC4=C3C=CC(=C4)OC

InChI

InChI=1S/C24H25N3O4S/c1-24(2,3)22(28)31-15-27-21-8-6-5-7-19(21)26-23(27)32(29)14-20-18-10-9-17(30-4)13-16(18)11-12-25-20/h5-13H,14-15H2,1-4H3