(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H18F3NO3S MolecularWeight: 505.50763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H18F3NO3S/c29-28(30,31)19-15-13-18(14-16-19)20-7-1-2-8-21(20)27(34)35-17-26(33)32-22-9-3-5-11-24(22)36-25-12-6-4-10-23(25)32/h1-16H,17H2