ethyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 3-oxo-2-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]hexanoic acid ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)OCC)SC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)C(C(=O)OCC)SC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-3-8-18(22)20(21(23)24-4-2)27-17-10-7-9-16(15-17)12-14-26-19-11-5-6-13-25-19/h7,9-10,15,19-20H,3-6,8,11-14H2,1-2H3