2-(4,7,8-trimethylquinolin-2-yl)sulfanylpropanoic acid

Systemtic Name: 2-(4,7,8-trimethylquinolin-2-yl)sulfanylpropanoic acid Openeye Name: 2-[(4,7,8-trimethyl-2-quinolyl)sulfanyl]propanoic acid CAS Name: 2-[(4,7,8-trimethyl-2-quinolinyl)thio]propanoic acid IUPAC Name: 2-(4,7,8-trimethylquinolin-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(4,7,8-trimethyl-2-quinolyl)thio]propionic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)SC(C)C(=O)O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)SC(C)C(=O)O)C)C

InChI

InChI=1S/C15H17NO2S/c1-8-5-6-12-9(2)7-13(16-14(12)10(8)3)19-11(4)15(17)18/h5-7,11H,1-4H3,(H,17,18)