6,7-dimethoxy-4-(2-pyridin-3-ylethynyl)-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 6,7-dimethoxy-4-(2-pyridin-3-ylethynyl)-3-thiophen-3-yl-isochromen-1-one Openeye Name: 6,7-dimethoxy-4-[2-(3-pyridyl)ethynyl]-3-(3-thienyl)isochromen-1-one CAS Name: 6,7-dimethoxy-4-[2-(3-pyridinyl)ethynyl]-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-4-(2-pyridin-3-ylethynyl)-3-thiophen-3-ylisochromen-1-one Traditional Name: 6,7-dimethoxy-4-[2-(3-pyridyl)ethynyl]-3-(3-thienyl)isocoumarin Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CC4=CN=CC=C4)OC

InChI

InChI=1S/C22H15NO4S/c1-25-19-10-17-16(6-5-14-4-3-8-23-12-14)21(15-7-9-28-13-15)27-22(24)18(17)11-20(19)26-2/h3-4,7-13H,1-2H3