[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-bromanylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3S/c18-14-8-6-13(7-9-14)17(21)22-12-16(20)19-10-11-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,20)