methyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H14N6O8S MolecularWeight: 426.36136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)N

InChI

InChI=1S/C14H14N6O8S/c1-5-8(14(23)28-3)13(29-10(5)11(15)22)16-7(21)4-18-6(2)9(19(24)25)12(17-18)20(26)27/h4H2,1-3H3,(H2,15,22)(H,16,21)