2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylethyl 3-oxidanylidenebutanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

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