8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-8-oxo-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-8-oxo-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-8-oxo-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O6S/c25-18(15(21(27)28)13-9-5-2-6-10-13)23-16-19(26)24-17(22(29)30)14(11-31-20(16)24)12-7-3-1-4-8-12/h1-10,15-16,20H,11H2,(H,23,25)(H,27,28)(H,29,30)