4-fluoranyl-3-(thian-4-ylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(thian-4-ylamino)benzoic acid Openeye Name: 4-fluoro-3-(tetrahydrothiopyran-4-ylamino)benzoic acid CAS Name: 4-fluoro-3-(4-thianylamino)benzoic acid IUPAC Name: 4-fluoro-3-(thian-4-ylamino)benzoic acid Traditional Name: 4-fluoro-3-(tetrahydrothiopyran-4-ylamino)benzoic acid Formula: C12H14FNO2S MolecularWeight: 255.308463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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