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

Systemtic Name: S-(4-chlorophenyl) 3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanethioate Openeye Name: S-(4-chlorophenyl) 3-[2-oxo-3-(trifluoromethyl)-1-pyridyl]propanethioate CAS Name: 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanethioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanethioate Traditional Name: 3-[2-keto-3-(trifluoromethyl)-1-pyridyl]propanethioic acid S-(4-chlorophenyl) ester Formula: C15H11ClF3NO2S MolecularWeight: 361.76655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C(F)(F)F)CCC(=O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CN(C(=O)C(=C1)C(F)(F)F)CCC(=O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H11ClF3NO2S/c16-10-3-5-11(6-4-10)23-13(21)7-9-20-8-1-2-12(14(20)22)15(17,18)19/h1-6,8H,7,9H2