methyl 2-ethanoyl-4-methylsulfanyl-4-methylsulfinyl-butanoate

Systemtic Name: methyl 2-ethanoyl-4-methylsulfanyl-4-methylsulfinyl-butanoate Openeye Name: methyl 2-acetyl-4-methylsulfanyl-4-methylsulfinyl-butanoate CAS Name: 2-acetyl-4-methylsulfinyl-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-acetyl-4-methylsulfanyl-4-methylsulfinylbutanoate Traditional Name: 2-acetyl-4-methylsulfinyl-4-(methylthio)butyric acid methyl ester Formula: C9H16O4S2 MolecularWeight: 252.35094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(SC)S(=O)C)C(=O)OC

Isomeric SMILES

CC(=O)C(CC(SC)S(=O)C)C(=O)OC

InChI

InChI=1S/C9H16O4S2/c1-6(10)7(9(11)13-2)5-8(14-3)15(4)12/h7-8H,5H2,1-4H3