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

Systemtic Name: N-phenyl-N-[(1S,2S,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]ethanamide Openeye Name: N-phenyl-N-[(1S,2S,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]acetamide CAS Name: N-phenyl-N-[(1S,2S,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]acetamide IUPAC Name: N-phenyl-N-[(1S,2S,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]acetamide Traditional Name: N-phenyl-N-[(1S,2S,4R)-3-thiabicyclo[2.2.2]oct-5-en-2-yl]acetamide Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2CCC(S1)C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N([C@@H]1[C@H]2CC[C@@H](S1)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H17NOS/c1-11(17)16(13-5-3-2-4-6-13)15-12-7-9-14(18-15)10-8-12/h2-7,9,12,14-15H,8,10H2,1H3/t12-,14+,15+/m1/s1