7-bromanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-bromanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)chromen-2-one CAS Name: 7-bromo-4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-bromo-4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]coumarin Formula: C19H15BrO4S MolecularWeight: 419.289

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)OC1

InChI

InChI=1S/C19H15BrO4S/c20-13-2-4-15-12(8-19(21)24-17(15)9-13)11-25-14-3-5-16-18(10-14)23-7-1-6-22-16/h2-5,8-10H,1,6-7,11H2