3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-2-hydroxy-3-methyl-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 2-hydroxy-3-methyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 2-hydroxy-3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-2-hydroxy-8-keto-3-methyl-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C13H20N2O6S MolecularWeight: 332.3727

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C(CS1)C(C2=O)NC(=O)OC(C)(C)C)(C(=O)O)O

Isomeric SMILES

CC1C(N2C(CS1)C(C2=O)NC(=O)OC(C)(C)C)(C(=O)O)O

InChI

InChI=1S/C13H20N2O6S/c1-6-13(20,10(17)18)15-7(5-22-6)8(9(15)16)14-11(19)21-12(2,3)4/h6-8,20H,5H2,1-4H3,(H,14,19)(H,17,18)