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

Systemtic Name: dimethyl 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C16H18N4O7S/c1-8-12(15(22)26-3)14(28-13(8)16(23)27-4)18-11(21)5-6-19-9(2)10(7-17-19)20(24)25/h7H,5-6H2,1-4H3,(H,18,21)