methyl 3-[(2-azanyl-6-bromanyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(2-azanyl-6-bromanyl-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(2-amino-6-bromo-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(2-amino-6-bromophenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-6-bromophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(2-amino-6-bromo-benzyl)thio]propionic acid methyl ester Formula: C11H14BrNO2S MolecularWeight: 304.20336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=C(C=CC=C1Br)N

Isomeric SMILES

COC(=O)CCSCC1=C(C=CC=C1Br)N

InChI

InChI=1S/C11H14BrNO2S/c1-15-11(14)5-6-16-7-8-9(12)3-2-4-10(8)13/h2-4H,5-7,13H2,1H3