2-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoic acid hydrobromide

Systemtic Name: 2-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoic acid hydrobromide Openeye Name: 2-[[1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propanoic acid hydrobromide CAS Name: 2-[[1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]propanoic acid hydrobromide IUPAC Name: 2-[(3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid hydrobromide Traditional Name: 2-[[1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid hydrobromide Formula: C15H22BrNO4S MolecularWeight: 392.30848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(C)C(=O)O.Br

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(C)C(=O)O.Br

InChI

InChI=1S/C15H21NO4S.BrH/c1-3-20-15(19)13(16-11(2)14(17)18)10-21-9-12-7-5-4-6-8-12;/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18);1H