diethyl 3-methyl-5-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O7S/c1-4-32-21(28)17-13(3)18(22(29)33-5-2)34-20(17)23-19(27)15-11-16(26(30)31)24-25(15)12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,23,27)