ethyl 2-[(4-methylphenyl)carbonylamino]-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)carbonylamino]-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-[(4-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: 5-(4-hydroxy-3-nitro-benzylidene)-4-keto-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C1=O)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C1=O)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H18N2O7S/c1-3-31-22(28)18-19(26)17(11-13-6-9-16(25)15(10-13)24(29)30)32-21(18)23-20(27)14-7-4-12(2)5-8-14/h4-11,25H,3H2,1-2H3,(H,23,27)