5,6,7-trimethoxy-4-(4-thiophen-2-ylphenyl)chromen-2-one

Systemtic Name: 5,6,7-trimethoxy-4-(4-thiophen-2-ylphenyl)chromen-2-one Openeye Name: 5,6,7-trimethoxy-4-[4-(2-thienyl)phenyl]chromen-2-one CAS Name: 5,6,7-trimethoxy-4-(4-thiophen-2-ylphenyl)-1-benzopyran-2-one IUPAC Name: 5,6,7-trimethoxy-4-(4-thiophen-2-ylphenyl)chromen-2-one Traditional Name: 5,6,7-trimethoxy-4-[4-(2-thienyl)phenyl]coumarin Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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