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

Systemtic Name: 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-p-phenetyl-acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OCC)C=C2C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OCC)C=C2C#N

InChI

InChI=1S/C22H21N3O3S/c1-3-27-18-9-6-17(7-10-18)24-21(26)14-29-22-16(13-23)11-15-5-8-19(28-4-2)12-20(15)25-22/h5-12H,3-4,14H2,1-2H3,(H,24,26)