2-azanyl-3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-bromo-2,5-dimethoxy-benzyl)thio]propionic acid Formula: C12H16BrNO4S MolecularWeight: 350.22874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSCC(C(=O)O)N)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSCC(C(=O)O)N)OC)Br

InChI

InChI=1S/C12H16BrNO4S/c1-17-10-4-8(13)11(18-2)3-7(10)5-19-6-9(14)12(15)16/h3-4,9H,5-6,14H2,1-2H3,(H,15,16)