(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) adamantane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) adamantane-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C25H25NO3S/c27-23(15-29-24(28)25-12-16-9-17(13-25)11-18(10-16)14-25)26-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)26/h1-8,16-18H,9-15H2