methyl 3-(5-bromanyl-2-methoxy-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-bromanyl-2-methoxy-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(5-bromo-2-methoxy-phenyl)sulfanylpropanoate CAS Name: 3-[(5-bromo-2-methoxyphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-bromo-2-methoxyphenyl)sulfanylpropanoate Traditional Name: 3-[(5-bromo-2-methoxy-phenyl)thio]propionic acid methyl ester Formula: C11H13BrO3S MolecularWeight: 305.18812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)SCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)SCCC(=O)OC

InChI

InChI=1S/C11H13BrO3S/c1-14-9-4-3-8(12)7-10(9)16-6-5-11(13)15-2/h3-4,7H,5-6H2,1-2H3