2-(6-bromanylquinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-bromanylquinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6-bromo-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-bromo-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-bromoquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-bromo-4-quinolyl)thio]acetic acid Formula: C11H8BrNO2S MolecularWeight: 298.15572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CC(=C2C=C1Br)SCC(=O)O

Isomeric SMILES

C1=CC2=NC=CC(=C2C=C1Br)SCC(=O)O

InChI

InChI=1S/C11H8BrNO2S/c12-7-1-2-9-8(5-7)10(3-4-13-9)16-6-11(14)15/h1-5H,6H2,(H,14,15)