[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-bromanylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrNO3S/c19-16-10-5-4-9-15(16)18(22)23-13-17(21)20-11-6-12-24-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,20,21)