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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3S/c18-12-6-7-15(19)14(10-12)17(22)23-11-16(21)20-8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11,19H2,(H,20,21)