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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[3-(3-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6S/c1-5-27-17(24)14-9(2)15(11(4)22)28-16(14)18-13(23)6-7-20-8-12(21(25)26)10(3)19-20/h8H,5-7H2,1-4H3,(H,18,23)