2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC)C#N)C

InChI

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