(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(1H-benzimidazol-2-ylsulfanyl)acetate CAS Name: 2-(1H-benzimidazol-2-ylthio)acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(1H-benzimidazol-2-ylsulfanyl)acetate Traditional Name: 2-(1H-benzimidazol-2-ylthio)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C23H17N3O3S2/c27-21(13-29-22(28)14-30-23-24-15-7-1-2-8-16(15)25-23)26-17-9-3-5-11-19(17)31-20-12-6-4-10-18(20)26/h1-12H,13-14H2,(H,24,25)