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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5S/c1-17(22)15-20(23)24-11-4-5-14-27-19-8-6-7-18(16-19)10-13-26-21-9-2-3-12-25-21/h6-8,16,21H,2-5,9-15H2,1H3