ethyl 3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H19NO7 MolecularWeight: 409.38876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H19NO7/c1-2-27-22(26)20-14(13-7-3-5-9-16(13)30-20)12-28-19(24)11-18-21(25)23-15-8-4-6-10-17(15)29-18/h3-10,18H,2,11-12H2,1H3,(H,23,25)/t18-/m0/s1