2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NCC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NCC3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H21N3O3S/c1-3-28-19-9-6-16-10-17(12-23)22(25-20(16)11-19)29-14-21(26)24-13-15-4-7-18(27-2)8-5-15/h4-11H,3,13-14H2,1-2H3,(H,24,26)