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

Systemtic Name: methyl 2-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-fluoro-3-nitroanilino)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-fluoro-3-nitroanilino)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16FN3O5S MolecularWeight: 381.378743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H16FN3O5S/c1-8-9(2)26-15(14(8)16(22)25-3)19-13(21)7-18-10-4-5-11(17)12(6-10)20(23)24/h4-6,18H,7H2,1-3H3,(H,19,21)