2-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-chloro-4-methyl-2-quinolinyl)methylthio]propanoic acid IUPAC Name: 2-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3-chloro-4-methyl-2-quinolyl)methylthio]propionic acid Formula: C14H14ClNO2S MolecularWeight: 295.78446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC(C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC(C)C(=O)O)Cl

InChI

InChI=1S/C14H14ClNO2S/c1-8-10-5-3-4-6-11(10)16-12(13(8)15)7-19-9(2)14(17)18/h3-6,9H,7H2,1-2H3,(H,17,18)