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

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

Isomeric SMILES

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

InChI

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