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

Systemtic Name: O2-ethyl O4-propyl 5-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-methoxy-4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 5-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C17H20N4O8S MolecularWeight: 440.4277

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O8S/c1-5-7-29-16(23)9-8(3)12(17(24)28-6-2)30-15(9)18-13(22)10-11(21(25)26)14(27-4)20-19-10/h5-7H2,1-4H3,(H,18,22)(H,19,20)