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

Systemtic Name: 2-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-chloro-7-methyl-3-quinolyl)methylsulfanyl]acetic acid CAS Name: 2-[(2-chloro-7-methyl-3-quinolinyl)methylthio]acetic acid IUPAC Name: 2-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-chloro-7-methyl-3-quinolyl)methylthio]acetic acid Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSCC(=O)O)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSCC(=O)O)Cl

InChI

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