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

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

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O7S/c1-4-28-17(24)14-11(3)15(18(25)29-5-2)30-16(14)20-13(23)7-6-8-21-10-12(9-19-21)22(26)27/h9-10H,4-8H2,1-3H3,(H,20,23)