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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-chloranyl-6-fluoranyl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H13ClFNO3S MolecularWeight: 413.849223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClFNO3S/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