2-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-bromo-3-(trifluoromethyl)anilino]-2-keto-ethyl]thio]acetate Formula: C11H8BrF3NO3S- MolecularWeight: 371.15033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCC(=O)[O-])C(F)(F)F)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCC(=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C11H9BrF3NO3S/c12-8-2-1-6(3-7(8)11(13,14)15)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)/p-1