ethyl 3-methyl-4-(methylcarbamoyl)-5-[(4-nitrophenyl)carbonylamino]thiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC)C

InChI

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