diethyl 3-methyl-5-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C15H17N5O7S MolecularWeight: 411.38978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O7S/c1-4-26-13(22)10-8(3)11(14(23)27-5-2)28-12(10)17-9(21)6-19-7-16-15(18-19)20(24)25/h7H,4-6H2,1-3H3,(H,17,21)