[2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-[4-(difluoromethylthio)anilino]-2-keto-ethyl] ester Formula: C18H11F8NO3S MolecularWeight: 473.337066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC(F)F

InChI

InChI=1S/C18H11F8NO3S/c19-16(20)31-13-3-1-12(2-4-13)27-14(28)8-30-15(29)9-5-10(17(21,22)23)7-11(6-9)18(24,25)26/h1-7,16H,8H2,(H,27,28)