[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H18FNO3S MolecularWeight: 371.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C20H18FNO3S/c1-13(19(23)22-11-10-14-6-3-2-4-7-14)25-20(24)18-12-15-16(21)8-5-9-17(15)26-18/h2-9,12-13H,10-11H2,1H3,(H,22,23)/t13-/m1/s1