[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H12FNO5S MolecularWeight: 373.354983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12FNO5S/c1-10(17(21)11-2-4-13(19)5-3-11)25-18(22)16-9-12-8-14(20(23)24)6-7-15(12)26-16/h2-10H,1H3/t10-/m1/s1