[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClNO4/c1-13(19(23)22(2)12-14-6-4-3-5-7-14)25-20(24)18-11-15-10-16(21)8-9-17(15)26-18/h3-11,13H,12H2,1-2H3/t13-/m0/s1