(1S,2S,4R)-2-phenethyl-3-thiabicyclo[2.2.1]hept-5-ene

Systemtic Name: (1S,2S,4R)-2-phenethyl-3-thiabicyclo[2.2.1]hept-5-ene Openeye Name: (1S,2S,4R)-2-phenethyl-3-thiabicyclo[2.2.1]hept-5-ene CAS Name: (1S,2S,4R)-2-phenethyl-3-thiabicyclo[2.2.1]hept-5-ene IUPAC Name: (1S,2S,4R)-2-phenethyl-3-thiabicyclo[2.2.1]hept-5-ene Traditional Name: (1S,2S,4R)-2-phenethyl-3-thiabicyclo[2.2.1]hept-5-ene Formula: C14H16S MolecularWeight: 216.34184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1SC2CCC3=CC=CC=C3

Isomeric SMILES

C1[C@H]2C=C[C@@H]1S[C@H]2CCC3=CC=CC=C3

InChI

InChI=1S/C14H16S/c1-2-4-11(5-3-1)6-9-14-12-7-8-13(10-12)15-14/h1-5,7-8,12-14H,6,9-10H2/t12-,13+,14+/m1/s1