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

Systemtic Name: propyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: propyl 3-oxo-2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-butanoate CAS Name: 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]-3-oxobutanoic acid propyl ester IUPAC Name: propyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-2-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]butyric acid propyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5S/c1-3-13-26-21(23)20(16(2)22)27-18-11-9-17(10-12-18)7-6-15-25-19-8-4-5-14-24-19/h9-12,19-20H,3-8,13-15H2,1-2H3