ethyl (5Z)-5-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-5-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-[(4-methylbenzoyl)amino]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(4-methylbenzoyl)amino]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-5-(5-bromo-2-hydroxy-benzylidene)-4-keto-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=C(C=CC(=C2)Br)O)/C1=O)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H18BrNO5S/c1-3-29-22(28)18-19(26)17(11-14-10-15(23)8-9-16(14)25)30-21(18)24-20(27)13-6-4-12(2)5-7-13/h4-11,25H,3H2,1-2H3,(H,24,27)/b17-11-