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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-oxidanyladamantane-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C25H25NO4S/c27-22(26-18-5-1-3-7-20(18)31-21-8-4-2-6-19(21)26)14-30-23(28)24-10-16-9-17(11-24)13-25(29,12-16)15-24/h1-8,16-17,29H,9-15H2