(2-sulfanylidenepyridin-1-yl) 7-(phenylcarbonyl)-7-azabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 7-(phenylcarbonyl)-7-azabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: (2-thioxo-1-pyridyl) 7-benzoyl-7-azabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 7-benzoyl-7-azabicyclo[2.2.1]heptane-4-carboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 7-benzoyl-7-azabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 7-benzoyl-7-azabicyclo[2.2.1]heptane-4-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1N2C(=O)C3=CC=CC=C3)C(=O)ON4C=CC=CC4=S

Isomeric SMILES

C1CC2(CCC1N2C(=O)C3=CC=CC=C3)C(=O)ON4C=CC=CC4=S

InChI

InChI=1S/C19H18N2O3S/c22-17(14-6-2-1-3-7-14)21-15-9-11-19(21,12-10-15)18(23)24-20-13-5-4-8-16(20)25/h1-8,13,15H,9-12H2