2-(3,6-dimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3,6-dimethylquinolin-2-yl)sulfanylethanoate Openeye Name: 2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3,6-dimethyl-2-quinolinyl)thio]acetate IUPAC Name: 2-(3,6-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3,6-dimethyl-2-quinolyl)thio]acetate Formula: C13H12NO2S- MolecularWeight: 246.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)[O-])C

InChI

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