O2-ethyl O4-propyl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 3-methyl-5-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 3-methyl-5-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C18H21N5O9S MolecularWeight: 483.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O9S/c1-5-7-32-17(25)12-9(3)14(18(26)31-6-2)33-16(12)19-11(24)8-21-10(4)13(22(27)28)15(20-21)23(29)30/h5-8H2,1-4H3,(H,19,24)