methyl 6-(1-methylsulfanylcyclobutyl)-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 6-(1-methylsulfanylcyclobutyl)-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 2-hydroxy-6-(1-methylsulfanylcyclobutyl)-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-6-[1-(methylthio)cyclobutyl]-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 2-hydroxy-6-(1-methylsulfanylcyclobutyl)-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 2-hydroxy-4-keto-6-[1-(methylthio)cyclobutyl]cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC(=O)C=C1O)C2(CCC2)SC

Isomeric SMILES

COC(=O)C1C(CC(=O)C=C1O)C2(CCC2)SC

InChI

InChI=1S/C13H18O4S/c1-17-12(16)11-9(6-8(14)7-10(11)15)13(18-2)4-3-5-13/h7,9,11,15H,3-6H2,1-2H3