ethyl 5-ethyl-2-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(4-fluoro-3-nitroanilino)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-fluoro-3-nitroanilino)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C18H20FN3O5S/c1-4-14-10(3)16(18(24)27-5-2)17(28-14)21-15(23)9-20-11-6-7-12(19)13(8-11)22(25)26/h6-8,20H,4-5,9H2,1-3H3,(H,21,23)