ethyl 3-butanoyl-6-(2-ethylsulfanylpropyl)-2,4-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: ethyl 3-butanoyl-6-(2-ethylsulfanylpropyl)-2,4-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: ethyl 3-butanoyl-6-(2-ethylsulfanylpropyl)-2,4-dioxo-cyclohexanecarboxylate CAS Name: 6-[2-(ethylthio)propyl]-2,4-dioxo-3-(1-oxobutyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-butanoyl-6-(2-ethylsulfanylpropyl)-2,4-dioxocyclohexane-1-carboxylate Traditional Name: 3-butyryl-6-[2-(ethylthio)propyl]-2,4-diketo-cyclohexanecarboxylic acid ethyl ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OCC)CC(C)SCC

Isomeric SMILES

CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OCC)CC(C)SCC

InChI

InChI=1S/C18H28O5S/c1-5-8-13(19)16-14(20)10-12(9-11(4)24-7-3)15(17(16)21)18(22)23-6-2/h11-12,15-16H,5-10H2,1-4H3