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

Systemtic Name: propyl 2-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate Openeye Name: propyl 3-oxo-2-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-pentanoate CAS Name: 2-[[4-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxopentanoic acid propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5S/c1-3-13-26-21(23)20(18(22)4-2)27-17-10-8-16(9-11-17)12-15-25-19-7-5-6-14-24-19/h8-11,19-20H,3-7,12-15H2,1-2H3