2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCCC2=CC3=C(C=C2)OCCO3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCCC2=CC3=C(C=C2)OCCO3)C#N)C(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-13-17(14(2)25)10-16(11-22)21(24-13)29-12-20(26)23-6-5-15-3-4-18-19(9-15)28-8-7-27-18/h3-4,9-10H,5-8,12H2,1-2H3,(H,23,26)