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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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