(phenylmethyl) 4-(4-bromophenyl)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(4-bromophenyl)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butanoate Openeye Name: benzyl 2-(acetylsulfanylmethyl)-4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 2-[(acetylthio)methyl]-4-(4-bromophenyl)-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(acetylsulfanylmethyl)-4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 2-[(acetylthio)methyl]-4-(4-bromophenyl)-4-keto-butyric acid benzyl ester Formula: C20H19BrO4S MolecularWeight: 435.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H19BrO4S/c1-14(22)26-13-17(11-19(23)16-7-9-18(21)10-8-16)20(24)25-12-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3