2,4-bis(fluoranyl)-5-(thian-4-ylamino)benzoic acid

Systemtic Name: 2,4-bis(fluoranyl)-5-(thian-4-ylamino)benzoic acid Openeye Name: 2,4-difluoro-5-(tetrahydrothiopyran-4-ylamino)benzoic acid CAS Name: 2,4-difluoro-5-(4-thianylamino)benzoic acid IUPAC Name: 2,4-difluoro-5-(thian-4-ylamino)benzoic acid Traditional Name: 2,4-difluoro-5-(tetrahydrothiopyran-4-ylamino)benzoic acid Formula: C12H13F2NO2S MolecularWeight: 273.298926

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=C(C=C(C(=C2)C(=O)O)F)F

Isomeric SMILES

C1CSCCC1NC2=C(C=C(C(=C2)C(=O)O)F)F

InChI

InChI=1S/C12H13F2NO2S/c13-9-6-10(14)11(5-8(9)12(16)17)15-7-1-3-18-4-2-7/h5-7,15H,1-4H2,(H,16,17)