O2-ethyl O4-propyl 3-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 3-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 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 O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 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 O2-ethyl ester O4-propyl ester Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(CC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(CC)N2C=C(C=N2)[N+](=O)[O-]

InChI

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