3-[(6-fluoranylquinolin-8-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-fluoranylquinolin-8-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(6-fluoro-8-quinolyl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-fluoro-8-quinolinyl)methylthio]propanoic acid IUPAC Name: 3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(6-fluoro-8-quinolyl)methylthio]propionic acid Formula: C13H12FNO2S MolecularWeight: 265.303283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2N=C1)CSCCC(=O)O)F

Isomeric SMILES

C1=CC2=CC(=CC(=C2N=C1)CSCCC(=O)O)F

InChI

InChI=1S/C13H12FNO2S/c14-11-6-9-2-1-4-15-13(9)10(7-11)8-18-5-3-12(16)17/h1-2,4,6-7H,3,5,8H2,(H,16,17)