ethyl 5-aminocarbonyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H16N8O6S MolecularWeight: 448.41324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N8O6S/c1-3-30-15(27)10-8(2)11(12(17)25)31-14(10)19-13(26)9-4-5-22(20-9)7-23-6-18-16(21-23)24(28)29/h4-6H,3,7H2,1-2H3,(H2,17,25)(H,19,26)