[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br)F

InChI

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