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

Systemtic Name: ethyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 3-oxo-2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanyl-butanoate CAS Name: 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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