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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)C)SC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CCCCOC(=O)C(C(=O)C)SC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-3-4-13-26-21(23)20(16(2)22)27-18-10-8-17(9-11-18)12-15-25-19-7-5-6-14-24-19/h8-11,19-20H,3-7,12-15H2,1-2H3