2-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]acetic acid Formula: C14H14BrNO2S MolecularWeight: 340.23546

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