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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C#N)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C#N)SCCC(=O)O

InChI

InChI=1S/C13H10N2O2S/c14-7-9-8-15-11-4-2-1-3-10(11)13(9)18-6-5-12(16)17/h1-4,8H,5-6H2,(H,16,17)