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

Systemtic Name: propan-2-yl 4-(3-cyano-5-ethyl-4,6-dimethyl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridyl)thio]-3-keto-butyric acid isopropyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SCC(=O)CC(=O)OC(C)C)C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SCC(=O)CC(=O)OC(C)C)C

InChI

InChI=1S/C17H22N2O3S/c1-6-14-11(4)15(8-18)17(19-12(14)5)23-9-13(20)7-16(21)22-10(2)3/h10H,6-7,9H2,1-5H3