methyl 3-[2-(2-chloranylcyclohexyl)carbonyloxyethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: methyl 3-[2-(2-chloranylcyclohexyl)carbonyloxyethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl 3-[2-(2-chlorocyclohexanecarbonyl)oxyethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[2-[(2-chlorocyclohexyl)-oxomethoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(2-chlorocyclohexanecarbonyl)oxyethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-[2-(2-chlorocyclohexanecarbonyl)oxyethylthio]-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C21H27ClO5S2 MolecularWeight: 459.01908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3CCCCC3Cl)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3CCCCC3Cl)C(=O)OC)C

InChI

InChI=1S/C21H27ClO5S2/c1-21(2)10-13-16(15(23)11-21)20(29-17(13)19(25)26-3)28-9-8-27-18(24)12-6-4-5-7-14(12)22/h12,14H,4-11H2,1-3H3