(2S)-2-azaniumyl-3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(3-bromo-4-methoxyphenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(3-bromo-4-methoxy-benzyl)thio]propionate 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-])[NH3+])Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC[C@H](C(=O)[O-])[NH3+])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)/t9-/m1/s1