ethyl 6,6-dimethyl-4-oxidanylidene-3-sulfanyl-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-sulfanyl-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 6,6-dimethyl-4-oxo-3-sulfanyl-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate CAS Name: 3-mercapto-6,6-dimethyl-4-oxo-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dimethyl-4-oxo-3-sulfanyl-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-3-mercapto-6,6-dimethyl-1,5,7,7a-tetrahydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C13H18O3S2 MolecularWeight: 286.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC(CC(=O)C2=C(S1)S)(C)C

Isomeric SMILES

CCOC(=O)C1C2CC(CC(=O)C2=C(S1)S)(C)C

InChI

InChI=1S/C13H18O3S2/c1-4-16-11(15)10-7-5-13(2,3)6-8(14)9(7)12(17)18-10/h7,10,17H,4-6H2,1-3H3