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

Systemtic Name: S-[6-(3-cyano-2-methyl-propyl)-3,4,5-tris(oxidanyl)oxan-2-yl] carbamothioate Openeye Name: S-[6-(3-cyano-2-methyl-propyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl] carbamothioate CAS Name: carbamothioic acid S-[[6-(3-cyano-2-methylpropyl)-3,4,5-trihydroxy-2-oxanyl]] ester IUPAC Name: S-[6-(3-cyano-2-methylpropyl)-3,4,5-trihydroxyoxan-2-yl] carbamothioate Traditional Name: thiocarbamic acid S-[6-(3-cyano-2-methyl-propyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl] ester Formula: C11H18N2O5S MolecularWeight: 290.33602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)CC1C(C(C(C(O1)SC(=O)N)O)O)O

Isomeric SMILES

CC(CC#N)CC1C(C(C(C(O1)SC(=O)N)O)O)O

InChI

InChI=1S/C11H18N2O5S/c1-5(2-3-12)4-6-7(14)8(15)9(16)10(18-6)19-11(13)17/h5-10,14-16H,2,4H2,1H3,(H2,13,17)