(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H19NO4S/c20-16-11-3-1-4-12(16)8-13(7-11)18(21)23-10-14-9-22-17(19-14)15-5-2-6-24-15/h2,5-6,9,11-13H,1,3-4,7-8,10H2