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

Systemtic Name: ethyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 3-oxo-2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-pentanoate CAS Name: 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)OCC)SC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCC(=O)C(C(=O)OCC)SC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-3-18(22)20(21(23)24-4-2)27-17-12-10-16(11-13-17)8-7-15-26-19-9-5-6-14-25-19/h10-13,19-20H,3-9,14-15H2,1-2H3