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

Systemtic Name: ethyl 2-[[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N6O6S MolecularWeight: 474.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N6O6S/c1-6-32-20(29)15-10(2)17(13(5)27)33-19(15)21-18(28)14-7-8-24(23-14)9-25-12(4)16(26(30)31)11(3)22-25/h7-8H,6,9H2,1-5H3,(H,21,28)