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

Systemtic Name: ethyl 5-ethyl-2-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(5-fluoro-2-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(5-fluoro-2-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=CC(=C2)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

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

InChI

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