2-[(5-fluoranylquinolin-8-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(5-fluoranylquinolin-8-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-fluoro-8-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-fluoro-8-quinolinyl)methylthio]propanoic acid IUPAC Name: 2-[(5-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-fluoro-8-quinolyl)methylthio]propionic acid Formula: C13H12FNO2S MolecularWeight: 265.303283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C2C(=C(C=C1)F)C=CC=N2

Isomeric SMILES

CC(C(=O)O)SCC1=C2C(=C(C=C1)F)C=CC=N2

InChI

InChI=1S/C13H12FNO2S/c1-8(13(16)17)18-7-9-4-5-11(14)10-3-2-6-15-12(9)10/h2-6,8H,7H2,1H3,(H,16,17)