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

Systemtic Name: 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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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)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-4-29-17-7-5-14-9-15(12-23)22(25-18(14)11-17)30-13-21(26)24-16-6-8-19(27-2)20(10-16)28-3/h5-11H,4,13H2,1-3H3,(H,24,26)