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

Systemtic Name: 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-(3,4-dimethylphenyl)acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-4-27-19-8-6-16-10-17(12-23)22(25-20(16)11-19)28-13-21(26)24-18-7-5-14(2)15(3)9-18/h5-11H,4,13H2,1-3H3,(H,24,26)