ethyl 4-[4-(4-bromanylphenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-(4-bromanylphenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoate Openeye Name: ethyl 2-acetylsulfanyl-4-[4-(4-bromophenoxy)phenyl]-4-oxo-butanoate CAS Name: 2-(acetylthio)-4-[4-(4-bromophenoxy)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetylsulfanyl-4-[4-(4-bromophenoxy)phenyl]-4-oxobutanoate Traditional Name: 2-(acetylthio)-4-[4-(4-bromophenoxy)phenyl]-4-keto-butyric acid ethyl ester Formula: C20H19BrO5S MolecularWeight: 451.33086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)SC(=O)C

InChI

InChI=1S/C20H19BrO5S/c1-3-25-20(24)19(27-13(2)22)12-18(23)14-4-8-16(9-5-14)26-17-10-6-15(21)7-11-17/h4-11,19H,3,12H2,1-2H3