N-[6-(hydroxymethyl)-2-(4-isothiocyanatophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Systemtic Name: N-[6-(hydroxymethyl)-2-(4-isothiocyanatophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide Openeye Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-isothiocyanatophenoxy)tetrahydropyran-3-yl]acetamide CAS Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-isothiocyanatophenoxy)-3-oxanyl]acetamide IUPAC Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-isothiocyanatophenoxy)oxan-3-yl]acetamide Traditional Name: N-[4,5-dihydroxy-2-(4-isothiocyanatophenoxy)-6-methylol-tetrahydropyran-3-yl]acetamide Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)N=C=S)CO)O)O

Isomeric SMILES

CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)N=C=S)CO)O)O

InChI

InChI=1S/C15H18N2O6S/c1-8(19)17-12-14(21)13(20)11(6-18)23-15(12)22-10-4-2-9(3-5-10)16-7-24/h2-5,11-15,18,20-21H,6H2,1H3,(H,17,19)