(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-iodanylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-iodanylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14INO3S MolecularWeight: 487.31023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)I

InChI

InChI=1S/C21H14INO3S/c22-15-8-2-1-7-14(15)21(25)26-13-20(24)23-16-9-3-5-11-18(16)27-19-12-6-4-10-17(19)23/h1-12H,13H2