3-[2-(1-benzothiophen-3-yl)-5-methoxy-1-benzofuran-3-yl]-4-iodanyl-isochromen-1-one

Systemtic Name: 3-[2-(1-benzothiophen-3-yl)-5-methoxy-1-benzofuran-3-yl]-4-iodanyl-isochromen-1-one Openeye Name: 3-[2-(benzothiophen-3-yl)-5-methoxy-benzofuran-3-yl]-4-iodo-isochromen-1-one CAS Name: 3-[2-(1-benzothiophen-3-yl)-5-methoxy-3-benzofuranyl]-4-iodo-2-benzopyran-1-one IUPAC Name: 3-[2-(1-benzothiophen-3-yl)-5-methoxy-1-benzofuran-3-yl]-4-iodoisochromen-1-one Traditional Name: 3-[2-(benzothiophen-3-yl)-5-methoxy-benzofuran-3-yl]-4-iodo-isocoumarin Formula: C26H15IO4S MolecularWeight: 550.36437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2C3=C(C4=CC=CC=C4C(=O)O3)I)C5=CSC6=CC=CC=C65

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2C3=C(C4=CC=CC=C4C(=O)O3)I)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C26H15IO4S/c1-29-14-10-11-20-18(12-14)22(24(30-20)19-13-32-21-9-5-4-6-15(19)21)25-23(27)16-7-2-3-8-17(16)26(28)31-25/h2-13H,1H3