2-(5-azanyl-4-fluoranyl-2-thiocyanato-phenyl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(5-azanyl-4-fluoranyl-2-thiocyanato-phenyl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(5-amino-4-fluoro-2-thiocyanato-phenyl)-2-oxo-acetic acid CAS Name: 2-(5-amino-4-fluoro-2-thiocyanatophenyl)-2-oxoacetic acid IUPAC Name: 2-(5-amino-4-fluoro-2-thiocyanatophenyl)-2-oxoacetic acid Traditional Name: 2-(5-amino-4-fluoro-2-thiocyanato-phenyl)-2-keto-acetic acid Formula: C9H5FN2O3S MolecularWeight: 240.211003

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)F)SC#N)C(=O)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N)F)SC#N)C(=O)C(=O)O

InChI

InChI=1S/C9H5FN2O3S/c10-5-2-7(16-3-11)4(1-6(5)12)8(13)9(14)15/h1-2H,12H2,(H,14,15)