(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranyl-4,5-bis(fluoranyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H12ClF2NO3S MolecularWeight: 431.839686

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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(=C(C=C4Cl)F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C=C4Cl)F)F

InChI

InChI=1S/C21H12ClF2NO3S/c22-13-10-15(24)14(23)9-12(13)21(27)28-11-20(26)25-16-5-1-3-7-18(16)29-19-8-4-2-6-17(19)25/h1-10H,11H2