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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C17H20N4O7S/c1-7-11(16(23)27-5)15(29-13(7)17(24)28-6)18-14(22)10(4)20-9(3)12(21(25)26)8(2)19-20/h10H,1-6H3,(H,18,22)