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

Systemtic Name: diethyl 3-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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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=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O7S/c1-5-12(21-9-11(8-19-21)22(26)27)15(23)20-16-13(17(24)28-6-2)10(4)14(30-16)18(25)29-7-3/h8-9,12H,5-7H2,1-4H3,(H,20,23)