ethyl 2-[(4-ethylsulfanylphenyl)methyl]-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(4-ethylsulfanylphenyl)methyl]-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(4-ethylsulfanylphenyl)methyl]-4,4,4-trifluoro-3-oxo-butanoate CAS Name: 2-[[4-(ethylthio)phenyl]methyl]-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethylsulfanylphenyl)methyl]-4,4,4-trifluoro-3-oxobutanoate Traditional Name: 2-[4-(ethylthio)benzyl]-4,4,4-trifluoro-3-keto-butyric acid ethyl ester Formula: C15H17F3O3S MolecularWeight: 334.35389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3O3S/c1-3-21-14(20)12(13(19)15(16,17)18)9-10-5-7-11(8-6-10)22-4-2/h5-8,12H,3-4,9H2,1-2H3