[7-(3-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [7-(3-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-keto-7-(3-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrO6S/c1-26-16-4-2-3-13(9-16)18-10-17(11-19-21(18)29-22(25)30-19)28-20(24)12-27-15-7-5-14(23)6-8-15/h2-11H,12H2,1H3