ethyl 4-ethyl-5-methyl-2-[2-[(3-nitrophenyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[(3-nitrophenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-(3-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-(3-nitroanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5S/c1-4-14-11(3)27-17(16(14)18(23)26-5-2)20-15(22)10-19-12-7-6-8-13(9-12)21(24)25/h6-9,19H,4-5,10H2,1-3H3,(H,20,22)