methyl 3-[4-(1-azanylethyl)-2-fluoranyl-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(1-azanylethyl)-2-fluoranyl-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(1-aminoethyl)-2-fluoro-phenyl]sulfanylpropanoate CAS Name: 3-[[4-(1-aminoethyl)-2-fluorophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-aminoethyl)-2-fluorophenyl]sulfanylpropanoate Traditional Name: 3-[[4-(1-aminoethyl)-2-fluoro-phenyl]thio]propionic acid methyl ester Formula: C12H16FNO2S MolecularWeight: 257.324343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)SCCC(=O)OC)F)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)SCCC(=O)OC)F)N

InChI

InChI=1S/C12H16FNO2S/c1-8(14)9-3-4-11(10(13)7-9)17-6-5-12(15)16-2/h3-4,7-8H,5-6,14H2,1-2H3