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

Systemtic Name: dimethyl 3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H16N4O7S MolecularWeight: 396.37514

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O7S/c1-8-11(14(21)25-2)13(27-12(8)15(22)26-3)17-10(20)4-5-18-7-9(6-16-18)19(23)24/h6-7H,4-5H2,1-3H3,(H,17,20)