(2-sulfanylidenepyridin-1-yl) (1S,8S)-12-oxidanylidenebicyclo[6.3.1]dodecane-6-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) (1S,8S)-12-oxidanylidenebicyclo[6.3.1]dodecane-6-carboxylate Openeye Name: (2-thioxo-1-pyridyl) (1S,8S)-12-oxobicyclo[6.3.1]dodecane-6-carboxylate CAS Name: (1S,8S)-12-oxo-6-bicyclo[6.3.1]dodecanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) (1S,8S)-12-oxobicyclo[6.3.1]dodecane-6-carboxylate Traditional Name: (1S,8S)-12-ketobicyclo[6.3.1]dodecane-6-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC2CCCC(C1)C2=O)C(=O)ON3C=CC=CC3=S

Isomeric SMILES

C1CCC(C[C@@H]2CCC[C@H](C1)C2=O)C(=O)ON3C=CC=CC3=S

InChI

InChI=1S/C18H23NO3S/c20-17-13-6-1-2-7-15(12-14(17)9-5-8-13)18(21)22-19-11-4-3-10-16(19)23/h3-4,10-11,13-15H,1-2,5-9,12H2/t13-,14-,15?/m0/s1