ethyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetate CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[3-(trifluoromethyl)benzyl]thio]acetic acid ethyl ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSCC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3O2S/c1-2-17-11(16)8-18-7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,2,7-8H2,1H3