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

Systemtic Name: ethyl 4-fluoranyl-3-[2-[(3-nitrophenyl)carbonylamino]ethanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[2-[(3-nitrobenzoyl)amino]acetyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[2-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[2-[(3-nitrobenzoyl)amino]acetyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[2-[(3-nitrobenzoyl)amino]acetyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17FN2O7S MolecularWeight: 460.432283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O7S/c1-2-30-21(27)19-14(18-15(22)7-4-8-16(18)32-19)11-31-17(25)10-23-20(26)12-5-3-6-13(9-12)24(28)29/h3-9H,2,10-11H2,1H3,(H,23,26)