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

Systemtic Name: 3-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenebutanoate Openeye Name: 3-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylpropyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 3-[[4-[2-(2-oxanyloxy)ethyl]phenyl]thio]propyl ester IUPAC Name: 3-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 3-[[4-(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=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5S/c1-16(21)15-19(22)23-12-4-14-26-18-8-6-17(7-9-18)10-13-25-20-5-2-3-11-24-20/h6-9,20H,2-5,10-15H2,1H3