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

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C24H22ClNO4S MolecularWeight: 455.95378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C24H22ClNO4S/c25-17-8-9-21-19(12-17)26(18-6-1-2-7-20(18)31-21)22(27)13-30-24(29)16-10-14-4-3-5-15(11-16)23(14)28/h1-2,6-9,12,14-16H,3-5,10-11,13H2