5,7-dimethoxy-4-(3-thiophen-2-ylphenyl)chromen-2-one

Systemtic Name: 5,7-dimethoxy-4-(3-thiophen-2-ylphenyl)chromen-2-one Openeye Name: 5,7-dimethoxy-4-[3-(2-thienyl)phenyl]chromen-2-one CAS Name: 5,7-dimethoxy-4-(3-thiophen-2-ylphenyl)-1-benzopyran-2-one IUPAC Name: 5,7-dimethoxy-4-(3-thiophen-2-ylphenyl)chromen-2-one Traditional Name: 5,7-dimethoxy-4-[3-(2-thienyl)phenyl]coumarin Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C21H16O4S/c1-23-15-10-17(24-2)21-16(12-20(22)25-18(21)11-15)13-5-3-6-14(9-13)19-7-4-8-26-19/h3-12H,1-2H3