O2-ethyl O4-methyl 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(5-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]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:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC)C

InChI

InChI=1S/C17H20N4O7S/c1-5-28-17(24)14-9(2)13(16(23)27-4)15(29-14)19-12(22)6-7-20-10(3)11(8-18-20)21(25)26/h8H,5-7H2,1-4H3,(H,19,22)