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

Systemtic Name: dimethyl 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-methyl-3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]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)C(C)CN2C=C(C=N2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)CN2C=C(C=N2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H18N4O7S/c1-8(6-19-7-10(5-17-19)20(24)25)13(21)18-14-11(15(22)26-3)9(2)12(28-14)16(23)27-4/h5,7-8H,6H2,1-4H3,(H,18,21)