S-(4-methylphenyl) 3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanethioate

Systemtic Name: S-(4-methylphenyl) 3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanethioate Openeye Name: S-(p-tolyl) 3-[2-oxo-3-(trifluoromethyl)-1-pyridyl]propanethioate CAS Name: 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanethioate Traditional Name: 3-[2-keto-3-(trifluoromethyl)-1-pyridyl]propanethioic acid S-(p-tolyl) ester Formula: C16H14F3NO2S MolecularWeight: 341.34807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CCN2C=CC=C(C2=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CCN2C=CC=C(C2=O)C(F)(F)F

InChI

InChI=1S/C16H14F3NO2S/c1-11-4-6-12(7-5-11)23-14(21)8-10-20-9-2-3-13(15(20)22)16(17,18)19/h2-7,9H,8,10H2,1H3