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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-(acetylsulfanylmethyl)-4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 2-[(acetylthio)methyl]-4-(4-bromophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(acetylsulfanylmethyl)-4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 2-[(acetylthio)methyl]-4-(4-bromophenyl)-4-keto-butyric acid methyl ester Formula: C14H15BrO4S MolecularWeight: 359.2355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C14H15BrO4S/c1-9(16)20-8-11(14(18)19-2)7-13(17)10-3-5-12(15)6-4-10/h3-6,11H,7-8H2,1-2H3