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

Systemtic Name: diethyl 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-methyl-3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O7S/c1-5-28-17(24)13-11(4)14(18(25)29-6-2)30-16(13)20-15(23)10(3)8-21-9-12(7-19-21)22(26)27/h7,9-10H,5-6,8H2,1-4H3,(H,20,23)