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

Systemtic Name: 3-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]propionic acid Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC(=O)O

Isomeric SMILES

CCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC(=O)O

InChI

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