ethyl 4-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

InChI

InChI=1S/C13H14N2O4S/c1-3-19-12(18)5-9(16)7-20-13-10(6-14)8(2)4-11(17)15-13/h4H,3,5,7H2,1-2H3,(H,15,17)