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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@@H](C)C(=O)NC2=CC3=C(C=C2)OCCO3)C#N)C(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-11-16(12(2)24)8-14(10-21)20(22-11)28-13(3)19(25)23-15-4-5-17-18(9-15)27-7-6-26-17/h4-5,8-9,13H,6-7H2,1-3H3,(H,23,25)/t13-/m0/s1