2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetate IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetate Formula: C12H10NO2S- MolecularWeight: 232.2783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2S/c1-8-6-11(16-7-12(14)15)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,14,15)/p-1