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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C14H15N5O6S MolecularWeight: 381.3638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O6S/c1-4-25-13(22)10-7(2)11(8(3)20)26-12(10)16-9(21)5-18-6-15-14(17-18)19(23)24/h6H,4-5H2,1-3H3,(H,16,21)