methyl 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoate

Systemtic Name: methyl 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoate Openeye Name: methyl 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoate CAS Name: 3-[[4-(trifluoromethylthio)phenyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoate Traditional Name: 3-[[4-(trifluoromethylthio)benzyl]amino]propionic acid methyl ester Formula: C12H14F3NO2S MolecularWeight: 293.30527

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCC1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

COC(=O)CCNCC1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H14F3NO2S/c1-18-11(17)6-7-16-8-9-2-4-10(5-3-9)19-12(13,14)15/h2-5,16H,6-8H2,1H3