[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H13FN2O5S2 MolecularWeight: 468.477423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H13FN2O5S2/c23-15-8-5-13(6-9-15)18(26)12-30-21(27)14-7-10-20(17(11-14)25(28)29)32-22-24-16-3-1-2-4-19(16)31-22/h1-11H,12H2