7-azanyl-8-oxidanylidene-3-(2-oxidanylidenepropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(2-oxidanylidenepropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-acetonyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-acetonyl-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)CC1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C10H12N2O4S/c1-4(13)2-5-3-17-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)