(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C28H20N4O3S MolecularWeight: 492.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

InChI

InChI=1S/C28H20N4O3S/c1-17(27(33)32-22-8-2-4-10-24(22)36-25-11-5-3-9-23(25)32)35-28(34)18-12-13-20-21(15-18)31-26(30-20)19-7-6-14-29-16-19/h2-17H,1H3,(H,30,31)