ethyl 2-(2-ethanoylsulfanylethanoylamino)-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-ethanoylsulfanylethanoylamino)-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetylsulfanylacetyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[2-(acetylthio)-1-oxoethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetylsulfanylacetyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[2-(acetylthio)acetyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C11H12N2O6S2 MolecularWeight: 332.35278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CSC(=O)C

InChI

InChI=1S/C11H12N2O6S2/c1-3-19-11(16)7-4-9(13(17)18)21-10(7)12-8(15)5-20-6(2)14/h4H,3,5H2,1-2H3,(H,12,15)