3-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpropanoate Openeye Name: 3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thio]propanoate IUPAC Name: 3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]thio]propionate Formula: C12H11F3NO3S- MolecularWeight: 306.28085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C12H12F3NO3S/c13-12(14,15)8-3-1-2-4-9(8)16-10(17)7-20-6-5-11(18)19/h1-4H,5-7H2,(H,16,17)(H,18,19)/p-1