[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

InChI

InChI=1S/C22H23NO5/c1-12-7-6-8-13(2)19(12)23-21(24)15(4)27-22(25)20-14(3)17-11-16(26-5)9-10-18(17)28-20/h6-11,15H,1-5H3,(H,23,24)/t15-/m0/s1