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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CCCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-3-5-14-27-22(24)21(19(23)4-2)28-18-11-9-17(10-12-18)13-16-26-20-8-6-7-15-25-20/h9-12,20-21H,3-8,13-16H2,1-2H3