2-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(6-bromo-2-methyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(6-bromo-2-methylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-2-methyl-4-quinolyl)thio]acetate Formula: C12H9BrNO2S- MolecularWeight: 311.17436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(=O)[O-]

InChI

InChI=1S/C12H10BrNO2S/c1-7-4-11(17-6-12(15)16)9-5-8(13)2-3-10(9)14-7/h2-5H,6H2,1H3,(H,15,16)/p-1