7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-3-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]-3-(methylthio)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-8-keto-3-(methylthio)-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)NC1C2CSC(=C(N2C1=O)C(=O)O)SC

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2CSC(=C(N2C1=O)C(=O)O)SC

InChI

InChI=1S/C13H18N2O5S2/c1-13(2,3)20-12(19)14-7-6-5-22-11(21-4)8(10(17)18)15(6)9(7)16/h6-7H,5H2,1-4H3,(H,14,19)(H,17,18)