(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H21N3O3S MolecularWeight: 455.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C26H21N3O3S/c1-16-17(2)28-25(27-16)18-11-13-19(14-12-18)26(31)32-15-24(30)29-20-7-3-5-9-22(20)33-23-10-6-4-8-21(23)29/h3-14H,15H2,1-2H3,(H,27,28)