ethyl 3-[[(2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-methyl-butanoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methyl-1-oxobutoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S)-2-(2-furoylamino)-3-methyl-butanoyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H23NO7/c1-4-27-22(26)19-15(14-8-5-6-9-16(14)30-19)12-29-21(25)18(13(2)3)23-20(24)17-10-7-11-28-17/h5-11,13,18H,4,12H2,1-3H3,(H,23,24)/t18-/m0/s1