ethyl 5-aminocarbonyl-4-methyl-2-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[(3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C13H13N5O6S MolecularWeight: 367.33722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O6S/c1-3-24-13(21)8-5(2)9(10(14)19)25-12(8)15-11(20)6-4-7(17-16-6)18(22)23/h4H,3H2,1-2H3,(H2,14,19)(H,15,20)(H,16,17)