[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C14H16F3NO4S MolecularWeight: 351.34135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)SC(F)(F)F

InChI

InChI=1S/C14H16F3NO4S/c1-9(12(19)18-7-8-21-2)22-13(20)10-3-5-11(6-4-10)23-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,19)/t9-/m0/s1