propyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate

Systemtic Name: propyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate Openeye Name: propyl 3-oxo-2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-pentanoate CAS Name: 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]-3-oxopentanoic acid propyl ester IUPAC Name: propyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxopentanoate Traditional Name: 3-keto-2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]valeric acid propyl ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-3-14-27-22(24)21(19(23)4-2)28-18-12-10-17(11-13-18)8-7-16-26-20-9-5-6-15-25-20/h10-13,20-21H,3-9,14-16H2,1-2H3