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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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-methyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O7S/c1-5-11(20-8-10(7-18-20)21(25)26)14(22)19-15-12(16(23)27-4)9(3)13(29-15)17(24)28-6-2/h7-8,11H,5-6H2,1-4H3,(H,19,22)