2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(8-methoxy-2-methyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(8-methoxy-2-methyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(8-methoxy-2-methyl-4-quinolyl)thio]acetate Formula: C13H12NO3S- MolecularWeight: 262.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)[O-]

InChI

InChI=1S/C13H13NO3S/c1-8-6-11(18-7-12(15)16)9-4-3-5-10(17-2)13(9)14-8/h3-6H,7H2,1-2H3,(H,15,16)/p-1