ethyl 4-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-3-keto-butyric acid ethyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C)C

InChI

InChI=1S/C15H16N2O4S/c1-4-21-14(20)6-12(19)8-22-15-11(7-16)5-13(10(3)18)9(2)17-15/h5H,4,6,8H2,1-3H3