3-oxidanylidenebutan-2-yl 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-[4-(difluoromethylsulfanyl)anilino]benzoate CAS Name: 2-[4-(difluoromethylthio)anilino]benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-[4-(difluoromethylsulfanyl)anilino]benzoate Traditional Name: 2-[4-(difluoromethylthio)anilino]benzoic acid (2-keto-1-methyl-propyl) ester Formula: C18H17F2NO3S MolecularWeight: 365.394286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F2NO3S/c1-11(22)12(2)24-17(23)15-5-3-4-6-16(15)21-13-7-9-14(10-8-13)25-18(19)20/h3-10,12,18,21H,1-2H3