(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-bromanyl-5-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-bromanyl-5-methoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrNO4S/c1-27-14-10-11-16(23)15(12-14)22(26)28-13-21(25)24-17-6-2-4-8-19(17)29-20-9-5-3-7-18(20)24/h2-12H,13H2,1H3