2-(2,4-dimethylquinolin-3-yl)sulfanylethanoate

Systemtic Name: 2-(2,4-dimethylquinolin-3-yl)sulfanylethanoate Openeye Name: 2-[(2,4-dimethyl-3-quinolyl)sulfanyl]acetate CAS Name: 2-[(2,4-dimethyl-3-quinolinyl)thio]acetate IUPAC Name: 2-(2,4-dimethylquinolin-3-yl)sulfanylacetate Traditional Name: 2-[(2,4-dimethyl-3-quinolyl)thio]acetate Formula: C13H12NO2S- MolecularWeight: 246.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)SCC(=O)[O-]

InChI

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