ethyl 5-ethanoyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S/c1-4-26-16(23)13-9(2)14(10(3)21)27-15(13)18-12(22)5-6-19-8-11(7-17-19)20(24)25/h7-8H,4-6H2,1-3H3,(H,18,22)