[(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H16ClNO5/c1-11(19(24)13-3-6-16(7-4-13)22-12(2)23)26-20(25)18-10-14-9-15(21)5-8-17(14)27-18/h3-11H,1-2H3,(H,22,23)/t11-/m0/s1