4-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylbutyl 3-oxidanylidenebutanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-17(22)16-20(23)24-12-4-5-15-27-19-9-7-18(8-10-19)11-14-26-21-6-2-3-13-25-21/h7-10,21H,2-6,11-16H2,1H3