2-azanyl-3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3-bromo-4-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-bromo-4-methoxy-benzyl)thio]propionic acid Formula: C11H14BrNO3S MolecularWeight: 320.20276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(C(=O)O)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(C(=O)O)N)Br

InChI

InChI=1S/C11H14BrNO3S/c1-16-10-3-2-7(4-8(10)12)5-17-6-9(13)11(14)15/h2-4,9H,5-6,13H2,1H3,(H,14,15)