(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2,6-bis(fluoranyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2,6-bis(fluoranyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2,6-difluorobenzoate Traditional Name: 2,6-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=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C=CC=C4F)F

InChI

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