2-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxidanylidenebutanoate Openeye Name: 2-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[[4-[2-(2-oxanyloxy)ethyl]phenyl]thio]ethyl ester IUPAC Name: 2-[4-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]ethyl ester Formula: C19H26O5S MolecularWeight: 366.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCOC2CCCCO2

InChI

InChI=1S/C19H26O5S/c1-15(20)14-18(21)22-12-13-25-17-7-5-16(6-8-17)9-11-24-19-4-2-3-10-23-19/h5-8,19H,2-4,9-14H2,1H3