8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-4-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]-4-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-4-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-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-8-oxo-4-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-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14N2O6S MolecularWeight: 362.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=CS1)C(=O)O)NC(=O)C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2C(C(=O)N2C(=CS1)C(=O)O)NC(=O)C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H14N2O6S/c19-13(11(16(23)24)8-4-2-1-3-5-8)17-12-9-6-25-7-10(15(21)22)18(9)14(12)20/h1-5,7,9,11-12H,6H2,(H,17,19)(H,21,22)(H,23,24)