ethyl 2-[(4-methylphenyl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 2-(4-methylanilino)-5-[(4-nitrophenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-(4-methylanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylanilino)-5-[(4-nitrophenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 4-keto-5-(4-nitrobenzylidene)-2-(p-toluidino)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)[N+](=O)[O-])C1=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)[N+](=O)[O-])C1=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H18N2O5S/c1-3-28-21(25)18-19(24)17(12-14-6-10-16(11-7-14)23(26)27)29-20(18)22-15-8-4-13(2)5-9-15/h4-12,22H,3H2,1-2H3