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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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