[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H18FNO4 MolecularWeight: 307.316823

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=C(O1)C(=CC=C2)F)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C2=C(O1)C(=CC=C2)F)C

InChI

InChI=1S/C16H18FNO4/c1-4-8-18-15(19)10(3)21-16(20)13-9(2)11-6-5-7-12(17)14(11)22-13/h5-7,10H,4,8H2,1-3H3,(H,18,19)/t10-/m0/s1