propan-2-yl 4-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-methyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-6-methylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-methyl-2-pyridyl)thio]-3-keto-butyric acid isopropyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-9(2)19-13(18)6-12(17)8-20-14-11(7-15)5-4-10(3)16-14/h4-5,9H,6,8H2,1-3H3