(1R,3R,6R,7S)-6-methyl-7-phenylsulfanyl-3-prop-1-en-2-yl-bicyclo[4.1.0]heptan-5-one

Systemtic Name: (1R,3R,6R,7S)-6-methyl-7-phenylsulfanyl-3-prop-1-en-2-yl-bicyclo[4.1.0]heptan-5-one Openeye Name: (1R,4R,6R,7S)-4-isopropenyl-1-methyl-7-phenylsulfanyl-norcaran-2-one CAS Name: (1R,3R,6R,7S)-6-methyl-3-(1-methylethenyl)-7-(phenylthio)-5-bicyclo[4.1.0]heptanone IUPAC Name: (1R,3R,6R,7S)-6-methyl-7-phenylsulfanyl-3-prop-1-en-2-ylbicyclo[4.1.0]heptan-5-one Traditional Name: (1R,4R,6R,7S)-4-isopropenyl-1-methyl-7-(phenylthio)norcaran-2-one Formula: C17H20OS MolecularWeight: 272.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC2C(C2(C(=O)C1)C)SC3=CC=CC=C3

Isomeric SMILES

CC(=C)[C@@H]1C[C@H]2[C@@H]([C@]2(C(=O)C1)C)SC3=CC=CC=C3

InChI

InChI=1S/C17H20OS/c1-11(2)12-9-14-16(17(14,3)15(18)10-12)19-13-7-5-4-6-8-13/h4-8,12,14,16H,1,9-10H2,2-3H3/t12-,14+,16+,17-/m1/s1