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

Systemtic Name: (2S)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SC2=NC(=C(C=C2C#N)C(=O)C)C

InChI

InChI=1S/C16H16N4O3S/c1-8-5-14(20-23-8)19-15(22)11(4)24-16-12(7-17)6-13(10(3)21)9(2)18-16/h5-6,11H,1-4H3,(H,19,20,22)/t11-/m0/s1