[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate

Systemtic Name: [2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate Openeye Name: [2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C20H11BrO4S MolecularWeight: 427.26794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C20H11BrO4S/c21-13-4-1-3-12(9-13)10-17-19(22)15-7-6-14(11-16(15)25-17)24-20(23)18-5-2-8-26-18/h1-11H