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

Systemtic Name: ethyl (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-[(4-methylsulfanylphenyl)methylene]-2-(4-nitroanilino)-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-[[4-(methylthio)phenyl]methylidene]-2-(4-nitroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-2-(4-nitroanilino)-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-4-keto-5-[4-(methylthio)benzylidene]-2-(4-nitroanilino)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S2/c1-3-28-21(25)18-19(24)17(12-13-4-10-16(29-2)11-5-13)30-20(18)22-14-6-8-15(9-7-14)23(26)27/h4-12,22H,3H2,1-2H3/b17-12-