3-butan-2-yl-5-phenethyl-thiolan-2-one

Systemtic Name: 3-butan-2-yl-5-phenethyl-thiolan-2-one Openeye Name: 5-phenethyl-3-sec-butyl-tetrahydrothiophen-2-one CAS Name: 3-butan-2-yl-5-phenethyl-2-thiolanone IUPAC Name: 3-butan-2-yl-5-phenethylthiolan-2-one Traditional Name: 5-phenethyl-3-sec-butyl-tetrahydrothiophen-2-one Formula: C16H22OS MolecularWeight: 262.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CC(SC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1CC(SC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H22OS/c1-3-12(2)15-11-14(18-16(15)17)10-9-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3