3-(4,6-dimethylquinolin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4,6-dimethylquinolin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(4,6-dimethyl-2-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(4,6-dimethyl-2-quinolinyl)thio]propanoic acid IUPAC Name: 3-(4,6-dimethylquinolin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4,6-dimethyl-2-quinolyl)thio]propionic acid Formula: C14H15NO2S MolecularWeight: 261.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C)SCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C)SCCC(=O)O

InChI

InChI=1S/C14H15NO2S/c1-9-3-4-12-11(7-9)10(2)8-13(15-12)18-6-5-14(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)