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

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-2-[(4-methylsulfanylphenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4,4,4-trifluoro-2-[(4-methylsulfanylphenyl)methyl]-3-oxo-butanoate CAS Name: 4,4,4-trifluoro-2-[[4-(methylthio)phenyl]methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trifluoro-2-[(4-methylsulfanylphenyl)methyl]-3-oxobutanoate Traditional Name: 4,4,4-trifluoro-3-keto-2-[4-(methylthio)benzyl]butyric acid ethyl ester Formula: C14H15F3O3S MolecularWeight: 320.32731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3O3S/c1-3-20-13(19)11(12(18)14(15,16)17)8-9-4-6-10(21-2)7-5-9/h4-7,11H,3,8H2,1-2H3