methyl 3-oxidanyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]propanoate CAS Name: 3-hydroxy-2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-(trifluoromethylthio)benzoyl]amino]propionic acid methyl ester Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C12H12F3NO4S/c1-20-11(19)9(6-17)16-10(18)7-2-4-8(5-3-7)21-12(13,14)15/h2-5,9,17H,6H2,1H3,(H,16,18)