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

Systemtic Name: 2-fluoranyl-5-(thian-4-ylamino)benzoic acid Openeye Name: 2-fluoro-5-(tetrahydrothiopyran-4-ylamino)benzoic acid CAS Name: 2-fluoro-5-(4-thianylamino)benzoic acid IUPAC Name: 2-fluoro-5-(thian-4-ylamino)benzoic acid Traditional Name: 2-fluoro-5-(tetrahydrothiopyran-4-ylamino)benzoic acid Formula: C12H14FNO2S MolecularWeight: 255.308463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FNO2S/c13-11-2-1-9(7-10(11)12(15)16)14-8-3-5-17-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,16)