7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2CSC=C(N2C1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2CSC=C(N2C1=O)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-12(2,3)19-11(18)13-8-6-4-20-5-7(10(16)17)14(6)9(8)15/h5-6,8H,4H2,1-3H3,(H,13,18)(H,16,17)