ethyl 5-ethyl-2-[2-(2-fluoranyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(2-fluoranyl-4-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(2-fluoro-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(2-fluoro-4-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(2-fluoro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(2-fluoro-4-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17FN2O6S MolecularWeight: 396.390083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F)C(=O)OCC

InChI

InChI=1S/C17H17FN2O6S/c1-3-11-8-12(17(22)25-4-2)16(27-11)19-15(21)9-26-14-6-5-10(20(23)24)7-13(14)18/h5-8H,3-4,9H2,1-2H3,(H,19,21)