[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CC2=COC3=C2C=CC(=C3)O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CC2=COC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H20N2O6/c1-12(21(27)23-16-5-3-15(4-6-16)22-13(2)24)29-20(26)9-14-11-28-19-10-17(25)7-8-18(14)19/h3-8,10-12,25H,9H2,1-2H3,(H,22,24)(H,23,27)/t12-/m1/s1