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

Systemtic Name: propyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: propyl 3-oxo-2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanyl-butanoate CAS Name: 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]-3-oxobutanoic acid propyl ester IUPAC Name: propyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-2-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]butyric acid propyl ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)C)SC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCCOC(=O)C(C(=O)C)SC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-3-14-27-22(24)21(17(2)23)28-19-12-10-18(11-13-19)8-4-6-15-25-20-9-5-7-16-26-20/h10-13,20-21H,3-9,14-16H2,1-2H3