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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC2=CC=CC=C2N=C1Cl

Isomeric SMILES

CC(C(=O)O)SCC1=CC2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C13H12ClNO2S/c1-8(13(16)17)18-7-10-6-9-4-2-3-5-11(9)15-12(10)14/h2-6,8H,7H2,1H3,(H,16,17)