ethyl 2-[8-(oxan-2-yloxy)-1-pyridin-3-yl-octan-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[8-(oxan-2-yloxy)-1-pyridin-3-yl-octan-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-[3-(3-pyridyl)propyl]-5-tetrahydropyran-2-yloxy-pentyl]sulfanylacetate CAS Name: 2-[[8-(2-oxanyloxy)-1-(3-pyridinyl)octan-4-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-(oxan-2-yloxy)-1-pyridin-3-yloctan-4-yl]sulfanylacetate Traditional Name: 2-[[1-[3-(3-pyridyl)propyl]-5-tetrahydropyran-2-yloxy-pentyl]thio]acetic acid ethyl ester Formula: C22H35NO4S MolecularWeight: 409.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(CCCCOC1CCCCO1)CCCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CSC(CCCCOC1CCCCO1)CCCC2=CN=CC=C2

InChI

InChI=1S/C22H35NO4S/c1-2-25-21(24)18-28-20(12-7-9-19-10-8-14-23-17-19)11-3-5-15-26-22-13-4-6-16-27-22/h8,10,14,17,20,22H,2-7,9,11-13,15-16,18H2,1H3