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

Systemtic Name: ethyl 4-fluoranyl-3-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)propoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[2-(2-keto-1,3-benzoxazol-3-yl)propanoyloxymethyl]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)C(C)N3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C(C)N3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H18FNO6S/c1-3-28-21(26)19-13(18-14(23)7-6-10-17(18)31-19)11-29-20(25)12(2)24-15-8-4-5-9-16(15)30-22(24)27/h4-10,12H,3,11H2,1-2H3