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

Systemtic Name: 2-(8-bromanyl-3-butyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(8-bromo-3-butyl-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(8-bromo-3-butyl-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(8-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(8-bromo-3-butyl-2-methyl-4-quinolyl)thio]acetic acid Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SCC(=O)O

Isomeric SMILES

CCCCC1=C(C2=C(C(=CC=C2)Br)N=C1C)SCC(=O)O

InChI

InChI=1S/C16H18BrNO2S/c1-3-4-6-11-10(2)18-15-12(7-5-8-13(15)17)16(11)21-9-14(19)20/h5,7-8H,3-4,6,9H2,1-2H3,(H,19,20)