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

Systemtic Name: 7-acetamido-8-oxidanylidene-3-(1-oxidanylpropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-acetamido-3-(1-hydroxypropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-acetamido-3-(1-hydroxypropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-acetamido-3-(1-hydroxypropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-acetamido-3-(1-hydroxypropyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N2C(C(C2=O)NC(=O)C)SC1)C(=O)O)O

Isomeric SMILES

CCC(C1=C(N2C(C(C2=O)NC(=O)C)SC1)C(=O)O)O

InChI

InChI=1S/C12H16N2O5S/c1-3-7(16)6-4-20-11-8(13-5(2)15)10(17)14(11)9(6)12(18)19/h7-8,11,16H,3-4H2,1-2H3,(H,13,15)(H,18,19)