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

Systemtic Name: ethyl 4,5-dimethyl-2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-4-29-20(26)17-12(2)13(3)30-19(17)21-18(25)15-10-16(24(27)28)22-23(15)11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,21,25)