[(2R)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2R)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-(2,6-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17F2NO4S MolecularWeight: 393.404386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C19H17F2NO4S/c1-11(23)10-27-16-9-4-3-6-13(16)19(25)26-12(2)18(24)22-17-14(20)7-5-8-15(17)21/h3-9,12H,10H2,1-2H3,(H,22,24)/t12-/m1/s1