(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-fluoranyl-4-methoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H16FNO4S MolecularWeight: 409.430143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)F

InChI

InChI=1S/C22H16FNO4S/c1-27-18-11-10-14(12-15(18)23)22(26)28-13-21(25)24-16-6-2-4-8-19(16)29-20-9-5-3-7-17(20)24/h2-12H,13H2,1H3