7-benzamido-3-ethyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-benzamido-3-ethyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-benzamido-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-benzamido-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-benzamido-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-benzamido-3-ethyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CCC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O4S/c1-2-9-8-23-15-11(14(20)18(15)12(9)16(21)22)17-13(19)10-6-4-3-5-7-10/h3-7,11,15H,2,8H2,1H3,(H,17,19)(H,21,22)