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

Systemtic Name: ethyl 5-ethyl-2-[(4-nitrophenyl)carbonylcarbamoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(4-nitrobenzoyl)carbamoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(4-nitrobenzoyl)carbamoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-nitrobenzoyl)carbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6S/c1-3-12-9-13(16(22)26-4-2)15(27-12)19-17(23)18-14(21)10-5-7-11(8-6-10)20(24)25/h5-9H,3-4H2,1-2H3,(H2,18,19,21,23)