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

Systemtic Name: ethyl 3-bromanyl-4-(4-ethylsulfanylphenyl)-2-oxidanylidene-butanoate Openeye Name: ethyl 3-bromo-4-(4-ethylsulfanylphenyl)-2-oxo-butanoate CAS Name: 3-bromo-4-[4-(ethylthio)phenyl]-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(4-ethylsulfanylphenyl)-2-oxobutanoate Traditional Name: 3-bromo-4-[4-(ethylthio)phenyl]-2-keto-butyric acid ethyl ester Formula: C14H17BrO3S MolecularWeight: 345.25198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO3S/c1-3-18-14(17)13(16)12(15)9-10-5-7-11(8-6-10)19-4-2/h5-8,12H,3-4,9H2,1-2H3