methyl 1-methyl-4-oxidanylidene-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate

Systemtic Name: methyl 1-methyl-4-oxidanylidene-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate Openeye Name: methyl 1-methyl-4-oxo-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate CAS Name: 3-mercapto-1-methyl-4-oxo-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-oxo-3-sulfanyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylate Traditional Name: 4-keto-3-mercapto-1-methyl-1,2,3,5,6,6a-hexahydropentalene-3a-carboxylic acid methyl ester Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2(C1CCC2=O)C(=O)OC)S

Isomeric SMILES

CC1CC(C2(C1CCC2=O)C(=O)OC)S

InChI

InChI=1S/C11H16O3S/c1-6-5-9(15)11(10(13)14-2)7(6)3-4-8(11)12/h6-7,9,15H,3-5H2,1-2H3