2-[2-[(4-ethylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol

Systemtic Name: 2-[2-[(4-ethylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[[2-[(4-ethylphenyl)methyl]-3-pyridyl]oxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[2-[(4-ethylphenyl)methyl]-3-pyridinyl]oxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[2-[(4-ethylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[[2-(4-ethylbenzyl)-3-pyridyl]oxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(C=CC=N2)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(C=CC=N2)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C20H25NO5S/c1-2-12-5-7-13(8-6-12)10-14-15(4-3-9-21-14)26-20-19(25)18(24)17(23)16(11-22)27-20/h3-9,16-20,22-25H,2,10-11H2,1H3