[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C20H18FNO4S MolecularWeight: 387.424623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C20H18FNO4S/c1-12(19(23)22-11-13-3-6-16(25-2)7-4-13)26-20(24)18-10-14-9-15(21)5-8-17(14)27-18/h3-10,12H,11H2,1-2H3,(H,22,23)/t12-/m1/s1