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

Systemtic Name: ethyl 4-fluoranyl-3-[2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[1-oxo-2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[2-(3-keto-4H-1,4-benzoxazin-2-yl)acetyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H18FNO6S MolecularWeight: 443.444823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H18FNO6S/c1-2-28-22(27)20-12(19-13(23)6-5-9-17(19)31-20)11-29-18(25)10-16-21(26)24-14-7-3-4-8-15(14)30-16/h3-9,16H,2,10-11H2,1H3,(H,24,26)