ethyl 1-methyl-5-methylidene-2-oxidanylidene-3-sulfanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-methyl-5-methylidene-2-oxidanylidene-3-sulfanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 1-methyl-5-methylene-2-oxo-3-sulfanyl-cyclohexanecarboxylate CAS Name: 3-mercapto-1-methyl-5-methylene-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-methylidene-2-oxo-3-sulfanylcyclohexane-1-carboxylate Traditional Name: 2-keto-3-mercapto-1-methyl-5-methylene-cyclohexanecarboxylic acid ethyl ester Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=C)CC(C1=O)S)C

Isomeric SMILES

CCOC(=O)C1(CC(=C)CC(C1=O)S)C

InChI

InChI=1S/C11H16O3S/c1-4-14-10(13)11(3)6-7(2)5-8(15)9(11)12/h8,15H,2,4-6H2,1,3H3