[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C17H15BrFNO3S/c18-15-7-6-12(19)10-14(15)17(22)23-11-16(21)20-8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,21)