methyl (1R,5R)-5-butanoyl-2,2-dimethyl-6-oxidanylidene-4-sulfanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,5R)-5-butanoyl-2,2-dimethyl-6-oxidanylidene-4-sulfanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,5R)-5-butanoyl-2,2-dimethyl-6-oxo-4-thioxo-cyclohexanecarboxylate CAS Name: (1R,5R)-2,2-dimethyl-6-oxo-5-(1-oxobutyl)-4-sulfanylidene-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5R)-5-butanoyl-2,2-dimethyl-6-oxo-4-sulfanylidenecyclohexane-1-carboxylate Traditional Name: (1R,5R)-5-butyryl-6-keto-2,2-dimethyl-4-thioxo-cyclohexanecarboxylic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=S)CC(C(C1=O)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=O)[C@H]1C(=S)CC([C@H](C1=O)C(=O)OC)(C)C

InChI

InChI=1S/C14H20O4S/c1-5-6-8(15)10-9(19)7-14(2,3)11(12(10)16)13(17)18-4/h10-11H,5-7H2,1-4H3/t10-,11+/m0/s1