2-(3-ethyl-2,6-dimethyl-quinolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(3-ethyl-2,6-dimethyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(3-ethyl-2,6-dimethyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-ethyl-2,6-dimethyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(3-ethyl-2,6-dimethylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-2,6-dimethyl-4-quinolyl)thio]acetate Formula: C15H16NO2S- MolecularWeight: 274.35804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCC(=O)[O-]

InChI

InChI=1S/C15H17NO2S/c1-4-11-10(3)16-13-6-5-9(2)7-12(13)15(11)19-8-14(17)18/h5-7H,4,8H2,1-3H3,(H,17,18)/p-1