methyl 3-[(2-azanyl-5-fluoranyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(2-azanyl-5-fluoranyl-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(2-amino-5-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(2-amino-5-fluorophenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-5-fluorophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(2-amino-5-fluoro-benzyl)thio]propionic acid methyl ester Formula: C11H14FNO2S MolecularWeight: 243.297763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=C(C=CC(=C1)F)N

Isomeric SMILES

COC(=O)CCSCC1=C(C=CC(=C1)F)N

InChI

InChI=1S/C11H14FNO2S/c1-15-11(14)4-5-16-7-8-6-9(12)2-3-10(8)13/h2-3,6H,4-5,7,13H2,1H3