2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-methyl-N-veratryl-acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC)C#N)C(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-13-17(14(2)25)9-16(10-22)21(23-13)29-12-20(26)24(3)11-15-6-7-18(27-4)19(8-15)28-5/h6-9H,11-12H2,1-5H3