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

Systemtic Name: ethyl 2-[(4-methylphenyl)amino]-5-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 2-(4-methylanilino)-5-[(4-methylsulfanylphenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-(4-methylanilino)-5-[[4-(methylthio)phenyl]methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylanilino)-5-[(4-methylsulfanylphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 4-keto-5-[4-(methylthio)benzylidene]-2-(p-toluidino)thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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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)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)SC)C1=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO3S2/c1-4-26-22(25)19-20(24)18(13-15-7-11-17(27-3)12-8-15)28-21(19)23-16-9-5-14(2)6-10-16/h5-13,23H,4H2,1-3H3