2-[2-[(2-cyano-3-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(2-cyano-3-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(2-cyano-3-fluoro-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2-cyano-3-fluoro-anilino)-2-keto-ethyl]thio]acetate Formula: C11H8FN2O3S- MolecularWeight: 267.256223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C#N)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)F)C#N)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C11H9FN2O3S/c12-8-2-1-3-9(7(8)4-13)14-10(15)5-18-6-11(16)17/h1-3H,5-6H2,(H,14,15)(H,16,17)/p-1