methyl 6-(2-ethylsulfanylpropyl)-2-oxidanyl-4-oxidanylidene-3-propanoyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 6-(2-ethylsulfanylpropyl)-2-oxidanyl-4-oxidanylidene-3-propanoyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 6-(2-ethylsulfanylpropyl)-2-hydroxy-4-oxo-3-propanoyl-cyclohex-2-ene-1-carboxylate CAS Name: 6-[2-(ethylthio)propyl]-2-hydroxy-4-oxo-3-(1-oxopropyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-ethylsulfanylpropyl)-2-hydroxy-4-oxo-3-propanoylcyclohex-2-ene-1-carboxylate Traditional Name: 6-[2-(ethylthio)propyl]-2-hydroxy-4-keto-3-propionyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(C(CC1=O)CC(C)SCC)C(=O)OC)O

Isomeric SMILES

CCC(=O)C1=C(C(C(CC1=O)CC(C)SCC)C(=O)OC)O

InChI

InChI=1S/C16H24O5S/c1-5-11(17)14-12(18)8-10(7-9(3)22-6-2)13(15(14)19)16(20)21-4/h9-10,13,19H,5-8H2,1-4H3