[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H20FNO3S MolecularWeight: 349.419703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C18H20FNO3S/c1-12(17(21)20-8-4-2-3-5-9-20)23-18(22)16-11-13-10-14(19)6-7-15(13)24-16/h6-7,10-12H,2-5,8-9H2,1H3/t12-/m1/s1