ethyl 3-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(2-indoxazen-3-ylacetyl)oxymethyl]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)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3=NOC4=CC=CC=C43

InChI

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