[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C20H16BrNO5 MolecularWeight: 430.24874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H16BrNO5/c1-11-16-9-14(21)5-8-18(16)27-19(11)20(25)26-10-17(24)13-3-6-15(7-4-13)22-12(2)23/h3-9H,10H2,1-2H3,(H,22,23)