ethyl 2-(8-methylsulfonyloxy-1-pyridin-3-yl-octan-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(8-methylsulfonyloxy-1-pyridin-3-yl-octan-4-yl)sulfanylethanoate Openeye Name: ethyl 2-[5-methylsulfonyloxy-1-[3-(3-pyridyl)propyl]pentyl]sulfanylacetate CAS Name: 2-[[8-methylsulfonyloxy-1-(3-pyridinyl)octan-4-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(8-methylsulfonyloxy-1-pyridin-3-yloctan-4-yl)sulfanylacetate Traditional Name: 2-[[5-methylsulfonyloxy-1-[3-(3-pyridyl)propyl]pentyl]thio]acetic acid ethyl ester Formula: C18H29NO5S2 MolecularWeight: 403.55656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(CCCCOS(=O)(=O)C)CCCC1=CN=CC=C1

Isomeric SMILES

CCOC(=O)CSC(CCCCOS(=O)(=O)C)CCCC1=CN=CC=C1

InChI

InChI=1S/C18H29NO5S2/c1-3-23-18(20)15-25-17(10-4-5-13-24-26(2,21)22)11-6-8-16-9-7-12-19-14-16/h7,9,12,14,17H,3-6,8,10-11,13,15H2,1-2H3