phenyl-[(1S,2R,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]methanone

Systemtic Name: phenyl-[(1S,2R,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]methanone Openeye Name: phenyl-[(1S,2R,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]methanone CAS Name: phenyl-[(1S,2R,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]methanone IUPAC Name: phenyl-[(1S,2R,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]methanone Traditional Name: phenyl-[(1S,2R,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]methanone Formula: C14H14OS MolecularWeight: 230.32536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1C(S2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H]2C=C[C@H]1[C@@H](S2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H14OS/c15-13(10-4-2-1-3-5-10)14-11-6-8-12(16-14)9-7-11/h1-6,8,11-12,14H,7,9H2/t11-,12+,14-/m1/s1