5-ethoxy-1-(4-methylsulfanylphenyl)pentan-1-one

Systemtic Name: 5-ethoxy-1-(4-methylsulfanylphenyl)pentan-1-one Openeye Name: 5-ethoxy-1-(4-methylsulfanylphenyl)pentan-1-one CAS Name: 5-ethoxy-1-[4-(methylthio)phenyl]-1-pentanone IUPAC Name: 5-ethoxy-1-(4-methylsulfanylphenyl)pentan-1-one Traditional Name: 5-ethoxy-1-[4-(methylthio)phenyl]pentan-1-one Formula: C14H20O2S MolecularWeight: 252.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CCOCCCCC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C14H20O2S/c1-3-16-11-5-4-6-14(15)12-7-9-13(17-2)10-8-12/h7-10H,3-6,11H2,1-2H3