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

Systemtic Name: ethyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 3-oxo-2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]hexanoic acid ethyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34O5S/c1-3-9-20(24)22(23(25)26-4-2)29-19-14-12-18(13-15-19)10-5-7-16-27-21-11-6-8-17-28-21/h12-15,21-22H,3-11,16-17H2,1-2H3