(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H18BrNO3S2 MolecularWeight: 536.46002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H18BrNO3S2/c27-26-18-8-2-1-7-17(18)13-14-23(26)32-16-25(30)31-15-24(29)28-19-9-3-5-11-21(19)33-22-12-6-4-10-20(22)28/h1-14H,15-16H2