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

Systemtic Name: 2-[4-[(4-ethylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[[4-[(4-ethylphenyl)methyl]-3-pyridyl]oxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-[(4-ethylphenyl)methyl]-3-pyridinyl]oxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[4-[(4-ethylphenyl)methyl]pyridin-3-yl]oxy-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[[4-(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=NC=C2)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(C=NC=C2)OC3C(C(C(C(S3)CO)O)O)O

InChI

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