[4-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(2-methoxyphenoxy)ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Br

InChI

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