8-oxidanylidene-7-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(5-hydroxy-5-oxo-pentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(5-hydroxy-1,5-dioxopentyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(5-hydroxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(5-hydroxy-5-keto-pentanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)CCCC(=O)O)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C12H14N2O6S/c15-7(2-1-3-8(16)17)13-9-10(18)14-6(12(19)20)4-5-21-11(9)14/h4,9,11H,1-3,5H2,(H,13,15)(H,16,17)(H,19,20)