2-(8-bromanyl-2-methyl-3-propyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(8-bromanyl-2-methyl-3-propyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(8-bromo-2-methyl-3-propyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(8-bromo-2-methyl-3-propyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(8-bromo-2-methyl-3-propylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(8-bromo-2-methyl-3-propyl-4-quinolyl)thio]acetic acid Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SCC(=O)O

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SCC(=O)O

InChI

InChI=1S/C15H16BrNO2S/c1-3-5-10-9(2)17-14-11(6-4-7-12(14)16)15(10)20-8-13(18)19/h4,6-7H,3,5,8H2,1-2H3,(H,18,19)