[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C21H21NO5S/c1-13(20(23)22-16-9-5-7-11-18(16)25-2)26-21(24)19-15(12-28-3)14-8-4-6-10-17(14)27-19/h4-11,13H,12H2,1-3H3,(H,22,23)/t13-/m1/s1