ethyl 3-[2-(4-cyanophenoxy)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-cyanophenoxy)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-cyanophenoxy)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[2-(4-cyanophenoxy)-1-oxoethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-cyanophenoxy)acetyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(4-cyanophenoxy)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H16FNO5S MolecularWeight: 413.418843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16FNO5S/c1-2-26-21(25)20-15(19-16(22)4-3-5-17(19)29-20)11-28-18(24)12-27-14-8-6-13(10-23)7-9-14/h3-9H,2,11-12H2,1H3