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

Systemtic Name: diethyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O7S/c1-6-12(22-10(4)9-13(21-22)23(27)28)16(24)20-17-14(18(25)29-7-2)11(5)15(31-17)19(26)30-8-3/h9,12H,6-8H2,1-5H3,(H,20,24)