7-(but-3-enoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(but-3-enoylamino)-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(but-3-enoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methoxy-8-oxo-7-(1-oxobut-3-enylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(but-3-enoylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(but-3-enoylamino)-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)CC=C)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)CC=C)SC1)C(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-3-4-7(15)13-8-10(16)14-9(12(17)18)6(19-2)5-20-11(8)14/h3,8,11H,1,4-5H2,2H3,(H,13,15)(H,17,18)