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

Systemtic Name: ethyl 5-ethyl-2-[2-[(4-nitrophenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(4-nitroanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-nitroanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-3-13-9-14(17(22)25-4-2)16(26-13)19-15(21)10-18-11-5-7-12(8-6-11)20(23)24/h5-9,18H,3-4,10H2,1-2H3,(H,19,21)