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

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2=CC(=C(C=C2)OC)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2=CC(=C(C=C2)OC)OC)C#N)C(=O)C

InChI

InChI=1S/C20H21N3O4S/c1-11-16(12(2)24)8-14(10-21)20(22-11)28-13(3)19(25)23-15-6-7-17(26-4)18(9-15)27-5/h6-9,13H,1-5H3,(H,23,25)