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

Systemtic Name: methyl 3-[2-(4-chlorophenyl)carbonyloxyethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl 3-[2-(4-chlorobenzoyl)oxyethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[2-[(4-chlorophenyl)-oxomethoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-chlorobenzoyl)oxyethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-[2-(4-chlorobenzoyl)oxyethylthio]-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C21H21ClO5S2 MolecularWeight: 452.97144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C21H21ClO5S2/c1-21(2)10-14-16(15(23)11-21)20(29-17(14)19(25)26-3)28-9-8-27-18(24)12-4-6-13(22)7-5-12/h4-7H,8-11H2,1-3H3