2-(8-bromanyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(8-bromanyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(8-bromo-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(8-bromo-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(8-bromo-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(8-bromo-2-methyl-4-quinolyl)thio]acetic acid Formula: C12H10BrNO2S MolecularWeight: 312.1823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2Br)C(=C1)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2Br)C(=C1)SCC(=O)O

InChI

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