methylimino-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethylamino]methanesulfonic acid

Systemtic Name: methylimino-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethylamino]methanesulfonic acid Openeye Name: [2-(isoxazol-3-ylmethylsulfanyl)ethylamino]-methylimino-methanesulfonic acid CAS Name: [2-(3-isoxazolylmethylthio)ethylamino]-methyliminomethanesulfonic acid IUPAC Name: methylimino-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethylamino]methanesulfonic acid Traditional Name: [2-(isoxazol-3-ylmethylthio)ethylamino]-methylimino-methanesulfonic acid Formula: C8H13N3O4S2 MolecularWeight: 279.33652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=NOC=C1)S(=O)(=O)O

Isomeric SMILES

CN=C(NCCSCC1=NOC=C1)S(=O)(=O)O

InChI

InChI=1S/C8H13N3O4S2/c1-9-8(17(12,13)14)10-3-5-16-6-7-2-4-15-11-7/h2,4H,3,5-6H2,1H3,(H,9,10)(H,12,13,14)