7-(butoxycarbonylamino)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(butoxycarbonylamino)-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(butoxycarbonylamino)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[butoxy(oxo)methyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(butoxycarbonylamino)-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(butoxycarbonylamino)-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1C2CSC=C(N2C1=O)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC1C2CSC=C(N2C1=O)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-2-3-4-19-12(18)13-9-7-5-20-6-8(11(16)17)14(7)10(9)15/h6-7,9H,2-5H2,1H3,(H,13,18)(H,16,17)