ethyl 3-azanyl-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)SC(F)(F)F)N

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)SC(F)(F)F)N

InChI

InChI=1S/C12H14F3NO2S/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6,10H,2,7,16H2,1H3