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

Systemtic Name: 8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C17H14N2O8S MolecularWeight: 406.36666

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O8S/c20-12(9(16(24)25)7-4-2-1-3-5-7)18-10-13(21)19-11(17(26)27)8(15(22)23)6-28-14(10)19/h1-5,9-10,14H,6H2,(H,18,20)(H,22,23)(H,24,25)(H,26,27)