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

Systemtic Name: ethyl 5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl 2-anilino-5-[(3-bromo-4-methoxy-phenyl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-anilino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-anilino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 2-anilino-5-(3-bromo-4-methoxy-benzylidene)-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4S/c1-3-27-21(25)18-19(24)17(12-13-9-10-16(26-2)15(22)11-13)28-20(18)23-14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3