ethyl 2-ethyl-3-phenylsulfanyl-hexanoate

Systemtic Name: ethyl 2-ethyl-3-phenylsulfanyl-hexanoate Openeye Name: ethyl 2-ethyl-3-phenylsulfanyl-hexanoate CAS Name: 2-ethyl-3-(phenylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 2-ethyl-3-phenylsulfanylhexanoate Traditional Name: 2-ethyl-3-(phenylthio)hexanoic acid ethyl ester Formula: C16H24O2S MolecularWeight: 280.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)OCC)SC1=CC=CC=C1

Isomeric SMILES

CCCC(C(CC)C(=O)OCC)SC1=CC=CC=C1

InChI

InChI=1S/C16H24O2S/c1-4-10-15(14(5-2)16(17)18-6-3)19-13-11-8-7-9-12-13/h7-9,11-12,14-15H,4-6,10H2,1-3H3