ethyl 3-bromanyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-butanoate

Systemtic Name: ethyl 3-bromanyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-butanoate Openeye Name: ethyl 3-bromo-4-(4-methylsulfanylphenyl)-2-oxo-butanoate CAS Name: 3-bromo-4-[4-(methylthio)phenyl]-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(4-methylsulfanylphenyl)-2-oxobutanoate Traditional Name: 3-bromo-2-keto-4-[4-(methylthio)phenyl]butyric acid ethyl ester Formula: C13H15BrO3S MolecularWeight: 331.2254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(CC1=CC=C(C=C1)SC)Br

Isomeric SMILES

CCOC(=O)C(=O)C(CC1=CC=C(C=C1)SC)Br

InChI

InChI=1S/C13H15BrO3S/c1-3-17-13(16)12(15)11(14)8-9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3