[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-bromanylbenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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