methyl 4-methylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: methyl 2-hydroxy-4-methylsulfanyl-4-oxo-butanoate CAS Name: 2-hydroxy-4-(methylthio)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-methylsulfanyl-4-oxobutanoate Traditional Name: 2-hydroxy-4-keto-4-(methylthio)butyric acid methyl ester Formula: C6H10O4S MolecularWeight: 178.2062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)SC)O

Isomeric SMILES

COC(=O)C(CC(=O)SC)O

InChI

InChI=1S/C6H10O4S/c1-10-6(9)4(7)3-5(8)11-2/h4,7H,3H2,1-2H3