[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C19H15BrO4S MolecularWeight: 419.289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C19H15BrO4S/c1-12-8-14(20)6-7-18(12)25-11-19(22)23-10-15(21)17-9-13-4-2-3-5-16(13)24-17/h2-9H,10-11H2,1H3