ethyl 4-fluoranyl-3-[3-(2-fluorophenyl)sulfonylpropanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[3-(2-fluorophenyl)sulfonylpropanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[3-(2-fluorophenyl)sulfonylpropanoyloxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[3-(2-fluorophenyl)sulfonyl-1-oxopropoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[3-(2-fluorophenyl)sulfonylpropanoyloxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[3-(2-fluorophenyl)sulfonylpropanoyloxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H18F2O6S2 MolecularWeight: 468.490826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H18F2O6S2/c1-2-28-21(25)20-13(19-15(23)7-5-8-16(19)30-20)12-29-18(24)10-11-31(26,27)17-9-4-3-6-14(17)22/h3-9H,2,10-12H2,1H3