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

Systemtic Name: 2-(6-bromanyl-2-methyl-3-propyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6-bromo-2-methyl-3-propyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-bromo-2-methyl-3-propyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-bromo-2-methyl-3-propylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-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/c1-3-4-11-9(2)17-13-6-5-10(16)7-12(13)15(11)20-8-14(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)