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

Systemtic Name: ethyl 2-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 3-oxo-2-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanyl-butanoate CAS Name: 2-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5S/c1-3-23-20(22)19(15(2)21)26-17-11-9-16(10-12-17)7-6-14-25-18-8-4-5-13-24-18/h9-12,18-19H,3-8,13-14H2,1-2H3