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

Systemtic Name: 3-methanoyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 3-formyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 3-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-formyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(C(=CSC2N1C(=O)C2)C=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1(C(=CSC2N1C(=O)C2)C=O)C(=O)O

InChI

InChI=1S/C13H16N2O6S/c1-12(2,3)21-11(20)14-13(10(18)19)7(5-16)6-22-9-4-8(17)15(9)13/h5-6,9H,4H2,1-3H3,(H,14,20)(H,18,19)