7-[[3-bromanyl-5-(4-methoxyoxan-2-yl)phenoxy]methyl]-4-thiophen-3-yl-chromen-2-one

Systemtic Name: 7-[[3-bromanyl-5-(4-methoxyoxan-2-yl)phenoxy]methyl]-4-thiophen-3-yl-chromen-2-one Openeye Name: 7-[[3-bromo-5-(4-methoxytetrahydropyran-2-yl)phenoxy]methyl]-4-(3-thienyl)chromen-2-one CAS Name: 7-[[3-bromo-5-(4-methoxy-2-oxanyl)phenoxy]methyl]-4-(3-thiophenyl)-1-benzopyran-2-one IUPAC Name: 7-[[3-bromo-5-(4-methoxyoxan-2-yl)phenoxy]methyl]-4-thiophen-3-ylchromen-2-one Traditional Name: 7-[[3-bromo-5-(4-methoxytetrahydropyran-2-yl)phenoxy]methyl]-4-(3-thienyl)coumarin Formula: C26H23BrO5S MolecularWeight: 527.42682

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCOC(C1)C2=CC(=CC(=C2)Br)OCC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CSC=C5

Isomeric SMILES

COC1CCOC(C1)C2=CC(=CC(=C2)Br)OCC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CSC=C5

InChI

InChI=1S/C26H23BrO5S/c1-29-20-4-6-30-24(12-20)18-9-19(27)11-21(10-18)31-14-16-2-3-22-23(17-5-7-33-15-17)13-26(28)32-25(22)8-16/h2-3,5,7-11,13,15,20,24H,4,6,12,14H2,1H3