2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]propanoic acid IUPAC Name: 2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]propionic acid Formula: C14H14ClNO2S2 MolecularWeight: 327.84946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(N=C2C=C(C=CC2=C1)SC)Cl

Isomeric SMILES

CC(C(=O)O)SCC1=C(N=C2C=C(C=CC2=C1)SC)Cl

InChI

InChI=1S/C14H14ClNO2S2/c1-8(14(17)18)20-7-10-5-9-3-4-11(19-2)6-12(9)16-13(10)15/h3-6,8H,7H2,1-2H3,(H,17,18)