methyl 4-(3-cyano-5,6-dimethyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-cyano-5,6-dimethyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-cyano-5,6-dimethyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-5,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-5,6-dimethyl-2-pyridyl)thio]-3-keto-butyric acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1)C#N)SCC(=O)CC(=O)OC)C

Isomeric SMILES

CC1=C(N=C(C(=C1)C#N)SCC(=O)CC(=O)OC)C

InChI

InChI=1S/C13H14N2O3S/c1-8-4-10(6-14)13(15-9(8)2)19-7-11(16)5-12(17)18-3/h4H,5,7H2,1-3H3