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

Systemtic Name: 2-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]acetic acid CAS Name: 2-[(3-chloro-4-methyl-2-quinolinyl)methylthio]acetic acid IUPAC Name: 2-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-chloro-4-methyl-2-quinolyl)methylthio]acetic acid Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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