methyl 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]benzoate CAS Name: 4-[[2-(difluoromethylthio)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[2-(difluoromethylthio)phenyl]carbamoyl]benzoic acid methyl ester Formula: C16H13F2NO3S MolecularWeight: 337.341126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C16H13F2NO3S/c1-22-15(21)11-8-6-10(7-9-11)14(20)19-12-4-2-3-5-13(12)23-16(17)18/h2-9,16H,1H3,(H,19,20)