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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)amino]-5-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 2-(4-methoxyanilino)-5-[(4-methylsulfanylphenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-(4-methoxyanilino)-5-[[4-(methylthio)phenyl]methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyanilino)-5-[(4-methylsulfanylphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 4-keto-5-[4-(methylthio)benzylidene]-2-(p-anisidino)thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S2/c1-4-27-22(25)19-20(24)18(13-14-5-11-17(28-3)12-6-14)29-21(19)23-15-7-9-16(26-2)10-8-15/h5-13,23H,4H2,1-3H3