ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O5S/c1-5-24-13(21)11-7(2)8(3)25-12(11)16-10(20)6-18-9(4)15-14(17-18)19(22)23/h5-6H2,1-4H3,(H,16,20)