(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-(1H-benzimidazol-2-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-(1H-benzimidazol-2-yl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 2-(1H-benzimidazol-2-yl)benzoate CAS Name: 2-(1H-benzimidazol-2-yl)benzoic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-(1H-benzimidazol-2-yl)benzoate Traditional Name: 2-(1H-benzimidazol-2-yl)benzoic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C29H21N3O3S MolecularWeight: 491.56034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=CC=C4C5=NC6=CC=CC=C6N5

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=CC=C4C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H21N3O3S/c1-18(28(33)32-23-14-6-8-16-25(23)36-26-17-9-7-15-24(26)32)35-29(34)20-11-3-2-10-19(20)27-30-21-12-4-5-13-22(21)31-27/h2-18H,1H3,(H,30,31)