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

Systemtic Name: (2S)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(ethylcarbamoyl)propionamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC(=C(C=C1C#N)C(=O)C)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NC(=C(C=C1C#N)C(=O)C)C

InChI

InChI=1S/C15H18N4O3S/c1-5-17-15(22)19-13(21)10(4)23-14-11(7-16)6-12(9(3)20)8(2)18-14/h6,10H,5H2,1-4H3,(H2,17,19,21,22)/t10-/m0/s1