[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC(C)C(=O)NCC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O[C@@H](C)C(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C21H20ClNO5/c1-12-16-10-15(22)8-9-18(16)28-19(12)21(25)27-13(2)20(24)23-11-14-6-4-5-7-17(14)26-3/h4-10,13H,11H2,1-3H3,(H,23,24)/t13-/m0/s1