(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3-bromanylphenoxy)ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)COC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H16BrNO4S/c23-15-6-5-7-16(12-15)27-14-22(26)28-13-21(25)24-17-8-1-3-10-19(17)29-20-11-4-2-9-18(20)24/h1-12H,13-14H2