propyl 2-[2-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate

Systemtic Name: propyl 2-[2-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: propyl 3-oxo-2-[2-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[2-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxohexanoic acid propyl ester IUPAC Name: propyl 2-[2-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[2-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]hexanoic acid propyl ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)OCCC)SC1=CC=CC=C1CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)C(C(=O)OCCC)SC1=CC=CC=C1CCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-3-9-18(23)21(22(24)27-14-4-2)28-19-11-6-5-10-17(19)13-16-26-20-12-7-8-15-25-20/h5-6,10-11,20-21H,3-4,7-9,12-16H2,1-2H3