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

Systemtic Name: 2-(8-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(8-bromo-3-ethyl-2-methyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(8-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(8-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(8-bromo-3-ethyl-2-methyl-4-quinolyl)thio]acetate Formula: C14H13BrNO2S- MolecularWeight: 339.22752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO2S/c1-3-9-8(2)16-13-10(5-4-6-11(13)15)14(9)19-7-12(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)/p-1