3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[(6,7-dimethoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[(6,7-dimethoxy-1-isoquinolinyl)methylsulfinyl]-1-benzimidazolyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[(6,7-dimethoxyisoquinolin-1-yl)methylsulfinyl]benzimidazol-1-yl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[(6,7-dimethoxy-1-isoquinolyl)methylsulfinyl]benzimidazol-1-yl]phthalide Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CS(=O)C3=NC4=CC=CC=C4N3C5C6=CC=CC=C6C(=O)O5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CS(=O)C3=NC4=CC=CC=C4N3C5C6=CC=CC=C6C(=O)O5)OC

InChI

InChI=1S/C27H21N3O5S/c1-33-23-13-16-11-12-28-21(19(16)14-24(23)34-2)15-36(32)27-29-20-9-5-6-10-22(20)30(27)25-17-7-3-4-8-18(17)26(31)35-25/h3-14,25H,15H2,1-2H3