4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-thiophen-3-yl-isochromen-1-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(3-thienyl)isochromen-1-one CAS Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-thiophen-3-ylisochromen-1-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(3-thienyl)isocoumarin Formula: C22H16O6S MolecularWeight: 408.42384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C22H16O6S/c1-24-17-8-14-15(9-18(17)25-2)22(23)28-21(13-5-6-29-10-13)20(14)12-3-4-16-19(7-12)27-11-26-16/h3-10H,11H2,1-2H3