5-methyl-1-[(1S,3S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]-2-phenylsulfanyl-hex-4-en-1-one

Systemtic Name: 5-methyl-1-[(1S,3S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]-2-phenylsulfanyl-hex-4-en-1-one Openeye Name: 5-methyl-1-[(1S,3S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]-2-phenylsulfanyl-hex-4-en-1-one CAS Name: 5-methyl-1-[(1S,3S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]-2-(phenylthio)-4-hexen-1-one IUPAC Name: 5-methyl-1-[(1S,3S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]-2-phenylsulfanylhex-4-en-1-one Traditional Name: 5-methyl-1-[(1S,3S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]-2-(phenylthio)hex-4-en-1-one Formula: C20H26O2S MolecularWeight: 330.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=O)C1CCC2(C(C1)O2)C)SC3=CC=CC=C3)C

Isomeric SMILES

CC(=CCC(C(=O)[C@H]1CC[C@@]2([C@H](C1)O2)C)SC3=CC=CC=C3)C

InChI

InChI=1S/C20H26O2S/c1-14(2)9-10-17(23-16-7-5-4-6-8-16)19(21)15-11-12-20(3)18(13-15)22-20/h4-9,15,17-18H,10-13H2,1-3H3/t15-,17?,18-,20+/m0/s1