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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C13H15N5O5S MolecularWeight: 353.3537

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O5S/c1-4-23-12(20)10-7(2)8(3)24-11(10)15-9(19)5-17-6-14-13(16-17)18(21)22/h6H,4-5H2,1-3H3,(H,15,19)