3-[(8-oxidanylquinolin-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(8-oxidanylquinolin-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(8-hydroxy-5-quinolyl)methylsulfanyl]propanoic acid CAS Name: 3-[(8-hydroxy-5-quinolinyl)methylthio]propanoic acid IUPAC Name: 3-[(8-hydroxyquinolin-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(8-hydroxy-5-quinolyl)methylthio]propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S/c15-11-4-3-9(8-18-7-5-12(16)17)10-2-1-6-14-13(10)11/h1-4,6,15H,5,7-8H2,(H,16,17)