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

Systemtic Name: 3-[2-(1-benzothiophen-3-yl)-5-methoxy-1-benzofuran-3-yl]-4-(3-oxidanylprop-1-ynyl)isochromen-1-one Openeye Name: 3-[2-(benzothiophen-3-yl)-5-methoxy-benzofuran-3-yl]-4-(3-hydroxyprop-1-ynyl)isochromen-1-one CAS Name: 3-[2-(1-benzothiophen-3-yl)-5-methoxy-3-benzofuranyl]-4-(3-hydroxyprop-1-ynyl)-2-benzopyran-1-one IUPAC Name: 3-[2-(1-benzothiophen-3-yl)-5-methoxy-1-benzofuran-3-yl]-4-(3-hydroxyprop-1-ynyl)isochromen-1-one Traditional Name: 3-[2-(benzothiophen-3-yl)-5-methoxy-benzofuran-3-yl]-4-(3-hydroxyprop-1-ynyl)isocoumarin Formula: C29H18O5S MolecularWeight: 478.51522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H18O5S/c1-32-17-12-13-24-22(15-17)26(28(33-24)23-16-35-25-11-5-4-8-19(23)25)27-20(10-6-14-30)18-7-2-3-9-21(18)29(31)34-27/h2-5,7-9,11-13,15-16,30H,14H2,1H3