methyl 2-[(3S,4S)-3-ethanoyl-1-methyl-2-oxidanylidene-3,4-dihydropyridin-4-yl]-2-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3S,4S)-3-ethanoyl-1-methyl-2-oxidanylidene-3,4-dihydropyridin-4-yl]-2-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3S,4S)-3-acetyl-1-methyl-2-oxo-3,4-dihydropyridin-4-yl]-2-methylsulfanyl-butanoate CAS Name: 2-[(3S,4S)-3-acetyl-1-methyl-2-oxo-3,4-dihydropyridin-4-yl]-2-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3S,4S)-3-acetyl-1-methyl-2-oxo-3,4-dihydropyridin-4-yl]-2-methylsulfanylbutanoate Traditional Name: 2-[(3S,4S)-3-acetyl-2-keto-1-methyl-3,4-dihydropyridin-4-yl]-2-(methylthio)butyric acid methyl ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C=CN(C(=O)C1C(=O)C)C)(C(=O)OC)SC

Isomeric SMILES

CCC([C@H]1C=CN(C(=O)[C@@H]1C(=O)C)C)(C(=O)OC)SC

InChI

InChI=1S/C14H21NO4S/c1-6-14(20-5,13(18)19-4)10-7-8-15(3)12(17)11(10)9(2)16/h7-8,10-11H,6H2,1-5H3/t10-,11+,14?/m0/s1