3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]benzoic acid Openeye Name: 3,4-difluoro-2-(2-fluoro-4-methylsulfanyl-anilino)benzoic acid CAS Name: 3,4-difluoro-2-[2-fluoro-4-(methylthio)anilino]benzoic acid IUPAC Name: 3,4-difluoro-2-(2-fluoro-4-methylsulfanylanilino)benzoic acid Traditional Name: 3,4-difluoro-2-[2-fluoro-4-(methylthio)anilino]benzoic acid Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)F

Isomeric SMILES

CSC1=CC(=C(C=C1)NC2=C(C=CC(=C2F)F)C(=O)O)F

InChI

InChI=1S/C14H10F3NO2S/c1-21-7-2-5-11(10(16)6-7)18-13-8(14(19)20)3-4-9(15)12(13)17/h2-6,18H,1H3,(H,19,20)