ethyl 2-[(3-chlorophenyl)amino]-5-[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)amino]-5-[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-chloroanilino)-5-[(4-dimethylaminophenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-(3-chloroanilino)-5-[(4-dimethylaminophenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloroanilino)-5-[(4-dimethylaminophenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 2-(3-chloroanilino)-5-[4-(dimethylamino)benzylidene]-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S/c1-4-28-22(27)19-20(26)18(12-14-8-10-17(11-9-14)25(2)3)29-21(19)24-16-7-5-6-15(23)13-16/h5-13,24H,4H2,1-3H3