(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-acetamidoadamantane-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C27H28N2O4S/c1-17(30)28-27-13-18-10-19(14-27)12-26(11-18,16-27)25(32)33-15-24(31)29-20-6-2-4-8-22(20)34-23-9-5-3-7-21(23)29/h2-9,18-19H,10-16H2,1H3,(H,28,30)