2-(3-ethyl-8-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(3-ethyl-8-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(3-ethyl-8-methoxy-2-methyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-ethyl-8-methoxy-2-methyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(3-ethyl-8-methoxy-2-methylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-8-methoxy-2-methyl-4-quinolyl)thio]acetate Formula: C15H16NO3S- MolecularWeight: 290.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S/c1-4-10-9(2)16-14-11(6-5-7-12(14)19-3)15(10)20-8-13(17)18/h5-7H,4,8H2,1-3H3,(H,17,18)/p-1