[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O[C@@H](C)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C20H18BrNO4/c1-12-16-11-14(21)9-10-17(16)26-18(12)20(24)25-13(2)19(23)22(3)15-7-5-4-6-8-15/h4-11,13H,1-3H3/t13-/m0/s1