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

Systemtic Name: propyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: propyl 3-oxo-2-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxohexanoic acid propyl ester IUPAC Name: propyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[3-(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(=C1)CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)C(C(=O)OCCC)SC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-3-8-19(23)21(22(24)27-13-4-2)28-18-10-7-9-17(16-18)12-15-26-20-11-5-6-14-25-20/h7,9-10,16,20-21H,3-6,8,11-15H2,1-2H3