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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO4S/c18-12-6-7-15(20)14(10-12)17(22)23-11-16(21)19-8-9-24-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11H2,(H,19,21)