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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)OCC)SC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCC(=O)C(C(=O)OCC)SC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-3-19(23)21(22(24)25-4-2)28-18-13-11-17(12-14-18)9-5-7-15-26-20-10-6-8-16-27-20/h11-14,20-21H,3-10,15-16H2,1-2H3