methyl 3-(2-azanyl-4-bromanyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-azanyl-4-bromanyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-amino-4-bromo-phenyl)sulfanylpropanoate CAS Name: 3-[(2-amino-4-bromophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4-bromophenyl)sulfanylpropanoate Traditional Name: 3-[(2-amino-4-bromo-phenyl)thio]propionic acid methyl ester Formula: C10H12BrNO2S MolecularWeight: 290.17678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)Br)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)Br)N

InChI

InChI=1S/C10H12BrNO2S/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5,12H2,1H3