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

Systemtic Name: ethyl 6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 6,6-dimethyl-3-methylsulfanyl-4-oxo-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-3-(methylthio)-4-oxo-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dimethyl-3-methylsulfanyl-4-oxo-1,5,7,7a-tetrahydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-(methylthio)-1,5,7,7a-tetrahydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C14H20O3S2 MolecularWeight: 300.4368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3S2/c1-5-17-12(16)11-8-6-14(2,3)7-9(15)10(8)13(18-4)19-11/h8,11H,5-7H2,1-4H3