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

Systemtic Name: 7-[[(2-methylpropan-2-yl)oxycarbonylamino]methylsulfanyl]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(tert-butoxycarbonylamino)methylsulfanyl]-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]methylthio]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2-methylpropan-2-yl)oxycarbonylamino]methylsulfanyl]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(tert-butoxycarbonylamino)methylthio]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCSC1C2CSC=C(N2C1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCSC1C2CSC=C(N2C1=O)C(=O)O

InChI

InChI=1S/C13H18N2O5S2/c1-13(2,3)20-12(19)14-6-22-9-7-4-21-5-8(11(17)18)15(7)10(9)16/h5,7,9H,4,6H2,1-3H3,(H,14,19)(H,17,18)