[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H20FNO4S/c1-13(20(24)23-11-14-7-4-3-5-8-14)27-21(25)19-15(12-26-2)18-16(22)9-6-10-17(18)28-19/h3-10,13H,11-12H2,1-2H3,(H,23,24)/t13-/m1/s1