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

Systemtic Name: 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxidanylidenebutanoate Openeye Name: 2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]ethyl ester IUPAC Name: 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]ethyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C20H28O5S/c1-16(21)15-19(22)23-13-14-26-18-9-7-17(8-10-18)5-4-12-25-20-6-2-3-11-24-20/h7-10,20H,2-6,11-15H2,1H3