methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-sulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-sulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-sulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-mercapto-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-sulfanylcyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-4-mercapto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)S

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)S

InChI

InChI=1S/C14H20O4S/c1-5-6-8(15)10-9(19)7-14(2,3)11(12(10)16)13(17)18-4/h11,19H,5-7H2,1-4H3