2-(3,5,8-trimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3,5,8-trimethylquinolin-2-yl)sulfanylethanoate Openeye Name: 2-[(3,5,8-trimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3,5,8-trimethyl-2-quinolinyl)thio]acetate IUPAC Name: 2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3,5,8-trimethyl-2-quinolyl)thio]acetate Formula: C14H14NO2S- MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)[O-])C

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)[O-])C

InChI

InChI=1S/C14H15NO2S/c1-8-4-5-9(2)13-11(8)6-10(3)14(15-13)18-7-12(16)17/h4-6H,7H2,1-3H3,(H,16,17)/p-1