ethyl 4-fluoranyl-3-[(4-methylsulfonylphenyl)carbonyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-methylsulfonylphenyl)carbonyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-methylsulfonylbenzoyl)oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-methylsulfonylphenyl)-oxomethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-methylsulfonylbenzoyl)oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(4-mesylbenzoyl)oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H17FO6S2 MolecularWeight: 436.473783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H17FO6S2/c1-3-26-20(23)18-14(17-15(21)5-4-6-16(17)28-18)11-27-19(22)12-7-9-13(10-8-12)29(2,24)25/h4-10H,3,11H2,1-2H3