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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2O1)COCC

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C2=CC=CC=C2O1)COCC

InChI

InChI=1S/C18H23NO5/c1-4-10-19-17(20)12(3)23-18(21)16-14(11-22-5-2)13-8-6-7-9-15(13)24-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)/t12-/m0/s1