diethyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]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)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O7S/c1-4-27-16(23)13-10(3)14(17(24)28-5-2)29-15(13)18-12(22)7-9-20-8-6-11(19-20)21(25)26/h6,8H,4-5,7,9H2,1-3H3,(H,18,22)