(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[4-(difluoromethylsulfanyl)anilino]benzoate CAS Name: 2-[4-(difluoromethylthio)anilino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[4-(difluoromethylsulfanyl)anilino]benzoate Traditional Name: 2-[4-(difluoromethylthio)anilino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H21F2NO3S MolecularWeight: 393.447446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C20H21F2NO3S/c1-20(2,3)17(24)12-26-18(25)15-6-4-5-7-16(15)23-13-8-10-14(11-9-13)27-19(21)22/h4-11,19,23H,12H2,1-3H3