3-[(2-chloranylquinolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]propanoic acid IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-chloro-3-quinolyl)methylthio]propionic acid Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSCCC(=O)O

InChI

InChI=1S/C13H12ClNO2S/c14-13-10(8-18-6-5-12(16)17)7-9-3-1-2-4-11(9)15-13/h1-4,7H,5-6,8H2,(H,16,17)