2-(6,8-dimethylquinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6,8-dimethylquinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6,8-dimethyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6,8-dimethyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6,8-dimethylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6,8-dimethyl-4-quinolyl)thio]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CN=C2C(=C1)C)SCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CN=C2C(=C1)C)SCC(=O)O

InChI

InChI=1S/C13H13NO2S/c1-8-5-9(2)13-10(6-8)11(3-4-14-13)17-7-12(15)16/h3-6H,7H2,1-2H3,(H,15,16)