3-(2-ethyl-5-methyl-5-methylsulfanyl-heptyl)cyclopent-2-en-1-one

Systemtic Name: 3-(2-ethyl-5-methyl-5-methylsulfanyl-heptyl)cyclopent-2-en-1-one Openeye Name: 3-(2-ethyl-5-methyl-5-methylsulfanyl-heptyl)cyclopent-2-en-1-one CAS Name: 3-[2-ethyl-5-methyl-5-(methylthio)heptyl]-1-cyclopent-2-enone IUPAC Name: 3-(2-ethyl-5-methyl-5-methylsulfanylheptyl)cyclopent-2-en-1-one Traditional Name: 3-[2-ethyl-5-methyl-5-(methylthio)heptyl]cyclopent-2-en-1-one Formula: C16H28OS MolecularWeight: 268.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)(CC)SC)CC1=CC(=O)CC1

Isomeric SMILES

CCC(CCC(C)(CC)SC)CC1=CC(=O)CC1

InChI

InChI=1S/C16H28OS/c1-5-13(9-10-16(3,6-2)18-4)11-14-7-8-15(17)12-14/h12-13H,5-11H2,1-4H3