diethyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H26N4O7S MolecularWeight: 466.50804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O7S/c1-7-30-19(26)14-11(4)16(20(27)31-8-2)32-18(14)21-17(25)10(3)9-23-13(6)15(24(28)29)12(5)22-23/h10H,7-9H2,1-6H3,(H,21,25)