ethyl 4-fluoranyl-3-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[4-(4-fluorophenyl)-4-oxo-butanoyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(4-fluorophenyl)-1,4-dioxobutoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[4-(4-fluorophenyl)-4-oxobutanoyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[4-(4-fluorophenyl)-4-keto-butanoyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H18F2O5S MolecularWeight: 432.437126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18F2O5S/c1-2-28-22(27)21-15(20-16(24)4-3-5-18(20)30-21)12-29-19(26)11-10-17(25)13-6-8-14(23)9-7-13/h3-9H,2,10-12H2,1H3