[2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate

Systemtic Name: [2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-keto-2-[(3-methyl-2-thienyl)methylene]coumaran-6-yl] ester Formula: C21H13BrO4S MolecularWeight: 441.29452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrO4S/c1-12-8-9-27-19(12)11-18-20(23)16-7-6-15(10-17(16)26-18)25-21(24)13-2-4-14(22)5-3-13/h2-11H,1H3