(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H23NO4S/c26-22(14-29-24(28)17-12-15-6-5-7-16(13-17)23(15)27)25-18-8-1-3-10-20(18)30-21-11-4-2-9-19(21)25/h1-4,8-11,15-17H,5-7,12-14H2