[(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(1S)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)O[C@@H](C)C(=O)NC3=CC(=CC=C3)Cl

InChI

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