propan-2-yl 4-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-3-keto-butyric acid isopropyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)CC(=O)OC(C)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)CC(=O)OC(C)C)C

InChI

InChI=1S/C16H20N2O3S/c1-9(2)21-15(20)6-13(19)8-22-16-14(7-17)11(4)10(3)12(5)18-16/h9H,6,8H2,1-5H3