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

Systemtic Name: 3-(6-bromanyl-2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(6-bromo-2-methyl-3-propyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(6-bromo-2-methyl-3-propyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(6-bromo-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-bromo-2-methyl-3-propyl-4-quinolyl)thio]propionic acid Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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