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

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CC2=COC3=C2C=CC(=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CC2=COC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H21NO6/c1-3-26-17-7-4-15(5-8-17)22-21(25)13(2)28-20(24)10-14-12-27-19-11-16(23)6-9-18(14)19/h4-9,11-13,23H,3,10H2,1-2H3,(H,22,25)/t13-/m0/s1