ethyl 4-fluoranyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyloxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[1-oxo-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyloxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H18FN3O5S MolecularWeight: 455.458823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCC3=NC(=NO3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCC3=NC(=NO3)C4=CC=CC=N4

InChI

InChI=1S/C22H18FN3O5S/c1-2-29-22(28)20-13(19-14(23)6-5-8-16(19)32-20)12-30-18(27)10-9-17-25-21(26-31-17)15-7-3-4-11-24-15/h3-8,11H,2,9-10,12H2,1H3