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

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[2-(4-fluoro-3-nitroanilino)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(4-fluoro-3-nitroanilino)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25FN4O6S MolecularWeight: 480.509803

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H25FN4O6S/c1-5-25(6-2)20(28)18-12(4)17(21(29)32-7-3)19(33-18)24-16(27)11-23-13-8-9-14(22)15(10-13)26(30)31/h8-10,23H,5-7,11H2,1-4H3,(H,24,27)