2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(3-cyano-7-ethoxy-2-quinolyl)thio]acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C#N

InChI

InChI=1S/C22H19N3O3S/c1-3-28-19-9-6-16-10-17(12-23)22(25-20(16)11-19)29-13-21(27)24-18-7-4-15(5-8-18)14(2)26/h4-11H,3,13H2,1-2H3,(H,24,27)