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

Systemtic Name: butyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate Openeye Name: butyl 3-oxo-2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-pentanoate CAS Name: 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]-3-oxopentanoic acid butyl ester IUPAC Name: butyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxopentanoate Traditional Name: 3-keto-2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]valeric acid butyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C23H34O5S/c1-3-5-15-28-23(25)22(20(24)4-2)29-19-13-11-18(12-14-19)9-8-17-27-21-10-6-7-16-26-21/h11-14,21-22H,3-10,15-17H2,1-2H3