S-(1-butoxy-3-phenylsulfanyl-propan-2-yl) ethanethioate

Systemtic Name: S-(1-butoxy-3-phenylsulfanyl-propan-2-yl) ethanethioate Openeye Name: S-[1-(butoxymethyl)-2-phenylsulfanyl-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-butoxy-3-(phenylthio)propan-2-yl] ester IUPAC Name: S-(1-butoxy-3-phenylsulfanylpropan-2-yl) ethanethioate Traditional Name: ethanethioic acid S-[1-(butoxymethyl)-2-(phenylthio)ethyl] ester Formula: C15H22O2S2 MolecularWeight: 298.46398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CSC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CCCCOCC(CSC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C15H22O2S2/c1-3-4-10-17-11-15(19-13(2)16)12-18-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3