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

Systemtic Name: 3-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]propionic acid Formula: C12H12F3NO3S MolecularWeight: 307.28879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSCCC(=O)O)C(F)(F)F

InChI

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