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

Systemtic Name: 3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenebutanoate Openeye Name: 3-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylpropyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 3-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]propyl ester IUPAC Name: 3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 3-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]propyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5S/c1-16(21)14-19(22)23-11-5-13-26-18-7-4-6-17(15-18)9-12-25-20-8-2-3-10-24-20/h4,6-7,15,20H,2-3,5,8-14H2,1H3