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

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCC2COC3=CC=CC=C3O2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCC2COC3=CC=CC=C3O2)C#N)C(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-12-16(13(2)24)7-14(8-21)20(23-12)28-11-19(25)22-9-15-10-26-17-5-3-4-6-18(17)27-15/h3-7,15H,9-11H2,1-2H3,(H,22,25)