(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H21N3O4S MolecularWeight: 507.55974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H21N3O4S/c1-35-20-13-10-18(11-14-20)28-30-21-15-12-19(16-22(21)31-28)29(34)36-17-27(33)32-23-6-2-4-8-25(23)37-26-9-5-3-7-24(26)32/h2-16H,17H2,1H3,(H,30,31)