[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C19H18F3NO4S MolecularWeight: 413.41073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C19H18F3NO4S/c1-11-4-9-16(26-3)15(10-11)23-17(24)12(2)27-18(25)13-5-7-14(8-6-13)28-19(20,21)22/h4-10,12H,1-3H3,(H,23,24)/t12-/m0/s1