ethyl 4,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-5-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O6S/c1-4-24-16(21)13-8(2)9(3)25-15(13)17-14(20)11-7-10(18(22)23)5-6-12(11)19/h5-7,19H,4H2,1-3H3,(H,17,20)