ethyl 6,6-dimethyl-4-oxidanylidene-3-[2-(phenylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-[2-(phenylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-[2-(benzenesulfonyl)ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[2-(benzenesulfonyl)ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(benzenesulfonyl)ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-(2-besylethylthio)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C21H24O5S3 MolecularWeight: 452.60726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCS(=O)(=O)C3=CC=CC=C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCS(=O)(=O)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H24O5S3/c1-4-26-19(23)18-15-12-21(2,3)13-16(22)17(15)20(28-18)27-10-11-29(24,25)14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3