6,7-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 6,7-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-3-thiophen-3-yl-isochromen-1-one Openeye Name: 6,7-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-3-(3-thienyl)isochromen-1-one CAS Name: 6,7-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-3-thiophen-3-ylisochromen-1-one Traditional Name: 6,7-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-3-(3-thienyl)isocoumarin Formula: C24H18O5S MolecularWeight: 418.46172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

InChI

InChI=1S/C24H18O5S/c1-26-17-7-4-15(5-8-17)6-9-18-19-12-21(27-2)22(28-3)13-20(19)24(25)29-23(18)16-10-11-30-14-16/h4-5,7-8,10-14H,1-3H3