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

Systemtic Name: propyl 2-[3-[2-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: propyl 3-oxo-2-[3-(2-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-butanoate CAS Name: 2-[[3-[2-(2-oxanyloxy)propyl]phenyl]thio]-3-oxobutanoic acid propyl ester IUPAC Name: propyl 2-[3-[2-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-2-[[3-(2-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=CC(=C1)CC(C)OC2CCCCO2

Isomeric SMILES

CCCOC(=O)C(C(=O)C)SC1=CC=CC(=C1)CC(C)OC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-4-11-25-21(23)20(16(3)22)27-18-9-7-8-17(14-18)13-15(2)26-19-10-5-6-12-24-19/h7-9,14-15,19-20H,4-6,10-13H2,1-3H3