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

Systemtic Name: ethyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 3-oxo-2-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-pentanoate CAS Name: 2-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxopentanoate Traditional Name: 3-keto-2-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]valeric acid ethyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)OCC)SC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCC(=O)C(C(=O)OCC)SC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C20H28O5S/c1-3-17(21)19(20(22)23-4-2)26-16-9-7-8-15(14-16)11-13-25-18-10-5-6-12-24-18/h7-9,14,18-19H,3-6,10-13H2,1-2H3