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

Systemtic Name: [4-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-(2-fluoranylphenoxy)ethanoate Openeye Name: [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(2-fluorophenoxy)acetate CAS Name: 2-(2-fluorophenoxy)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-fluorophenoxy)acetate Traditional Name: 2-(2-fluorophenoxy)acetic acid [4-(4-bromophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C21H12BrFO5S MolecularWeight: 475.284383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)OCC(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C21H12BrFO5S/c22-13-7-5-12(6-8-13)19-16(9-10-17-20(19)29-21(25)28-17)27-18(24)11-26-15-4-2-1-3-14(15)23/h1-10H,11H2