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

Systemtic Name: 3-ethenyl-8-oxidanylidene-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-hydroxy-2-phenyl-acetyl)amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethenyl-7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethenyl-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-(mandeloylamino)-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O

InChI

InChI=1S/C17H16N2O5S/c1-2-9-8-25-16-11(15(22)19(16)12(9)17(23)24)18-14(21)13(20)10-6-4-3-5-7-10/h2-7,11,13,16,20H,1,8H2,(H,18,21)(H,23,24)