(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H16BrNO4S MolecularWeight: 494.35714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H16BrNO4S/c1-14-16-12-15(25)10-11-19(16)30-23(14)24(28)29-13-22(27)26-17-6-2-4-8-20(17)31-21-9-5-3-7-18(21)26/h2-12H,13H2,1H3