ethyl 2-[(4-methylsulfonylphenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylsulfonylphenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylsulfonylbenzoyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylsulfonylbenzoyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[(4-mesylbenzoyl)amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C15H14N2O7S2 MolecularWeight: 398.41086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O7S2/c1-3-24-15(19)11-8-12(17(20)21)25-14(11)16-13(18)9-4-6-10(7-5-9)26(2,22)23/h4-8H,3H2,1-2H3,(H,16,18)