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

Systemtic Name: dimethyl 3-methyl-5-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[4-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[N+](=O)[O-]

InChI

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