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

Systemtic Name: 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]propanoic acid IUPAC Name: 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C2C=CC=NC2=C(C=C1)O

Isomeric SMILES

CC(C(=O)O)SCC1=C2C=CC=NC2=C(C=C1)O

InChI

InChI=1S/C13H13NO3S/c1-8(13(16)17)18-7-9-4-5-11(15)12-10(9)3-2-6-14-12/h2-6,8,15H,7H2,1H3,(H,16,17)