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

Systemtic Name: ethyl 2-[2-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 3-oxo-2-[2-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[2-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[2-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]hexanoic acid ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)OCC)SC1=CC=CC=C1CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)C(C(=O)OCC)SC1=CC=CC=C1CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-3-9-17(22)20(21(23)24-4-2)27-18-11-6-5-10-16(18)13-15-26-19-12-7-8-14-25-19/h5-6,10-11,19-20H,3-4,7-9,12-15H2,1-2H3