ethyl 3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(difluoromethylthio)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(difluoromethylthio)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H14F2N2O5S MolecularWeight: 396.365266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2SC(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F2N2O5S/c1-2-26-16(23)11-7-10(8-12(9-11)21(24)25)15(22)20-13-5-3-4-6-14(13)27-17(18)19/h3-9,17H,2H2,1H3,(H,20,22)