(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-bis(fluoranyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-bis(fluoranyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H13F2NO3S MolecularWeight: 397.394626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C21H13F2NO3S/c22-14-9-13(10-15(23)11-14)21(26)27-12-20(25)24-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)24/h1-11H,12H2