diethyl 3-methyl-5-[2-(5-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(5-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(5-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-methyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(5-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C=N2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C=N2)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N4O7S/c1-5-27-16(23)13-9(3)14(17(24)28-6-2)29-15(13)19-12(22)8-20-10(4)11(7-18-20)21(25)26/h7H,5-6,8H2,1-4H3,(H,19,22)