2-(3-cyanoquinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 2-(3-cyanoquinolin-4-yl)sulfanylpropanoic acid Openeye Name: 2-[(3-cyano-4-quinolyl)sulfanyl]propanoic acid CAS Name: 2-[(3-cyano-4-quinolinyl)thio]propanoic acid IUPAC Name: 2-(3-cyanoquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 2-[(3-cyano-4-quinolyl)thio]propionic acid Formula: C13H10N2O2S MolecularWeight: 258.2957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=NC2=CC=CC=C21)C#N

Isomeric SMILES

CC(C(=O)O)SC1=C(C=NC2=CC=CC=C21)C#N

InChI

InChI=1S/C13H10N2O2S/c1-8(13(16)17)18-12-9(6-14)7-15-11-5-3-2-4-10(11)12/h2-5,7-8H,1H3,(H,16,17)