7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid

Systemtic Name: 7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid CAS Name: 7-methoxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid IUPAC Name: 7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-3-ene-3-carboxylic acid Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2OC)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-13(2,3)20-12(18)7-6(11(16)17)5-21-10-8(19-4)9(15)14(7)10/h5,7-8,10H,1-4H3,(H,16,17)