[7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] benzoate

Systemtic Name: [7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] benzoate Openeye Name: [7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] benzoate CAS Name: benzoic acid [7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] benzoate Traditional Name: benzoic acid [7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] ester Formula: C20H11BrO3S2 MolecularWeight: 443.33354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=S)S3

InChI

InChI=1S/C20H11BrO3S2/c21-14-8-6-12(7-9-14)16-10-15(11-17-18(16)24-20(25)26-17)23-19(22)13-4-2-1-3-5-13/h1-11H