3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenepentanoate

Systemtic Name: 3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenepentanoate Openeye Name: 3-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylpropyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 3-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]propyl ester IUPAC Name: 3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 3-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]propyl ester Formula: C21H30O5S MolecularWeight: 394.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)OCCCSC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCC(=O)CC(=O)OCCCSC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-2-18(22)16-20(23)24-12-6-14-27-19-8-5-7-17(15-19)10-13-26-21-9-3-4-11-25-21/h5,7-8,15,21H,2-4,6,9-14,16H2,1H3