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

Systemtic Name: 6,7-dimethoxy-4-(4-methoxyphenyl)-3-thiophen-3-yl-isochromen-1-one Openeye Name: 6,7-dimethoxy-4-(4-methoxyphenyl)-3-(3-thienyl)isochromen-1-one CAS Name: 6,7-dimethoxy-4-(4-methoxyphenyl)-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-4-(4-methoxyphenyl)-3-thiophen-3-ylisochromen-1-one Traditional Name: 6,7-dimethoxy-4-(4-methoxyphenyl)-3-(3-thienyl)isocoumarin Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

InChI

InChI=1S/C22H18O5S/c1-24-15-6-4-13(5-7-15)20-16-10-18(25-2)19(26-3)11-17(16)22(23)27-21(20)14-8-9-28-12-14/h4-12H,1-3H3