2-(4-chloranylisoquinolin-1-yl)sulfanylethanoate

Systemtic Name: 2-(4-chloranylisoquinolin-1-yl)sulfanylethanoate Openeye Name: 2-[(4-chloro-1-isoquinolyl)sulfanyl]acetate CAS Name: 2-[(4-chloro-1-isoquinolinyl)thio]acetate IUPAC Name: 2-(4-chloroisoquinolin-1-yl)sulfanylacetate Traditional Name: 2-[(4-chloro-1-isoquinolyl)thio]acetate Formula: C11H7ClNO2S- MolecularWeight: 252.69678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2SCC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2SCC(=O)[O-])Cl

InChI

InChI=1S/C11H8ClNO2S/c12-9-5-13-11(16-6-10(14)15)8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,15)/p-1