3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxidanylidenebutanoate

Systemtic Name: 3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxidanylidenebutanoate Openeye Name: 3-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylpropyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 3-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]propyl ester IUPAC Name: 3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 3-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]propyl ester Formula: C21H30O5S MolecularWeight: 394.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-17(22)16-20(23)24-14-5-15-27-19-10-8-18(9-11-19)6-4-13-26-21-7-2-3-12-25-21/h8-11,21H,2-7,12-16H2,1H3