(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(3-bromanylphenoxy)butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H20BrNO4S MolecularWeight: 498.3889

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)CCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H20BrNO4S/c25-17-7-5-8-18(15-17)29-14-6-13-24(28)30-16-23(27)26-19-9-1-3-11-21(19)31-22-12-4-2-10-20(22)26/h1-5,7-12,15H,6,13-14,16H2