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

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-[(4-propan-2-ylsulfanylphenyl)methyl]butanoate Openeye Name: ethyl 4,4,4-trifluoro-2-[(4-isopropylsulfanylphenyl)methyl]-3-oxo-butanoate CAS Name: 4,4,4-trifluoro-3-oxo-2-[[4-(propan-2-ylthio)phenyl]methyl]butanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trifluoro-3-oxo-2-[(4-propan-2-ylsulfanylphenyl)methyl]butanoate Traditional Name: 4,4,4-trifluoro-2-[4-(isopropylthio)benzyl]-3-keto-butyric acid ethyl ester Formula: C16H19F3O3S MolecularWeight: 348.38047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3O3S/c1-4-22-15(21)13(14(20)16(17,18)19)9-11-5-7-12(8-6-11)23-10(2)3/h5-8,10,13H,4,9H2,1-3H3