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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7S/c1-5-10(19-7-9(6-17-19)20(24)25)13(21)18-14-11(15(22)26-3)8(2)12(28-14)16(23)27-4/h6-7,10H,5H2,1-4H3,(H,18,21)