methyl 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoate

Systemtic Name: methyl 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoate Openeye Name: methyl 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoate CAS Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]thio]propionic acid methyl ester Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)OC

InChI

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