3-methylidene-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-methylidene-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylene-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-methylidene-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-6-5-21-10-7(14-12(19)20-13(2,3)4)9(16)15(10)8(6)11(17)18/h7-8,10H,1,5H2,2-4H3,(H,14,19)(H,17,18)