[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H15F2NO3S MolecularWeight: 399.410506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C21H15F2NO3S/c22-15-9-6-10-16(23)20(15)21(26)27-13-19(25)24-17-11-4-5-12-18(17)28-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25)