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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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