ethyl 5-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl 5-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl 5-[(3,5-dichloro-4-hydroxy-phenyl)methylene]-2-[(4-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: 5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: 5-(3,5-dichloro-4-hydroxy-benzylidene)-4-keto-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H17Cl2NO5S MolecularWeight: 478.34508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2NO5S/c1-3-30-22(29)17-19(27)16(10-12-8-14(23)18(26)15(24)9-12)31-21(17)25-20(28)13-6-4-11(2)5-7-13/h4-10,26H,3H2,1-2H3,(H,25,28)