ethyl 5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl 2-anilino-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-anilino-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-anilino-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 2-anilino-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO5S/c1-3-28-21(26)17-19(25)16(29-20(17)23-13-7-5-4-6-8-13)11-12-9-14(22)18(24)15(10-12)27-2/h4-11,23-24H,3H2,1-2H3