[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H20FNO5S/c1-12(20(24)23-11-13-4-6-16(26-2)17(8-13)27-3)28-21(25)19-10-14-9-15(22)5-7-18(14)29-19/h4-10,12H,11H2,1-3H3,(H,23,24)/t12-/m1/s1