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

Systemtic Name: 6,7-dimethoxy-4-(6-methoxypyridin-3-yl)-3-thiophen-3-yl-isochromen-1-one Openeye Name: 6,7-dimethoxy-4-(6-methoxy-3-pyridyl)-3-(3-thienyl)isochromen-1-one CAS Name: 6,7-dimethoxy-4-(6-methoxy-3-pyridinyl)-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-4-(6-methoxypyridin-3-yl)-3-thiophen-3-ylisochromen-1-one Traditional Name: 6,7-dimethoxy-4-(6-methoxy-3-pyridyl)-3-(3-thienyl)isocoumarin Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO5S/c1-24-16-8-14-15(9-17(16)25-2)21(23)27-20(13-6-7-28-11-13)19(14)12-4-5-18(26-3)22-10-12/h4-11H,1-3H3