[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C22H22N2O5S/c1-13(21(26)24-16-10-8-15(9-11-16)23-14(2)25)28-22(27)20-18(12-30-3)17-6-4-5-7-19(17)29-20/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)/t13-/m1/s1