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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5S/c1-3-12-25-20(22)19(15(2)21)26-17-9-7-16(8-10-17)11-14-24-18-6-4-5-13-23-18/h7-10,18-19H,3-6,11-14H2,1-2H3