7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C14H13N2O5S+ MolecularWeight: 321.32842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C3[N+](C2=O)(C=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C3[N+](C2=O)(C=CS3)C(=O)O

InChI

InChI=1S/C14H12N2O5S/c17-10(8-21-9-4-2-1-3-5-9)15-11-12(18)16(14(19)20)6-7-22-13(11)16/h1-7,11,13H,8H2,(H-,15,17,19,20)/p+1