S-[3,4,5-tris(oxidanyl)-6-(phenylmethyl)oxan-2-yl] carbamothioate

Systemtic Name: S-[3,4,5-tris(oxidanyl)-6-(phenylmethyl)oxan-2-yl] carbamothioate Openeye Name: S-(6-benzyl-3,4,5-trihydroxy-tetrahydropyran-2-yl) carbamothioate CAS Name: carbamothioic acid S-[[3,4,5-trihydroxy-6-(phenylmethyl)-2-oxanyl]] ester IUPAC Name: S-(6-benzyl-3,4,5-trihydroxyoxan-2-yl) carbamothioate Traditional Name: thiocarbamic acid S-(6-benzyl-3,4,5-trihydroxy-tetrahydropyran-2-yl) ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(C(O2)SC(=O)N)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(C(C(C(O2)SC(=O)N)O)O)O

InChI

InChI=1S/C13H17NO5S/c14-13(18)20-12-11(17)10(16)9(15)8(19-12)6-7-4-2-1-3-5-7/h1-5,8-12,15-17H,6H2,(H2,14,18)