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

Systemtic Name: 2-(3-cyanoquinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-cyanoquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-4-quinolyl)thio]acetic acid Formula: C12H8N2O2S MolecularWeight: 244.26912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O2S/c13-5-8-6-14-10-4-2-1-3-9(10)12(8)17-7-11(15)16/h1-4,6H,7H2,(H,15,16)