7-oxidanylidene-6-(2-phenoxyethanoylamino)-3-phenyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-(2-phenoxyethanoylamino)-3-phenyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 7-oxo-6-[(2-phenoxyacetyl)amino]-3-phenyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-3-phenyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 7-oxo-6-[(2-phenoxyacetyl)amino]-3-phenyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 7-keto-6-[(2-phenoxyacetyl)amino]-3-phenyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C20H17N2O5S+ MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+]3(C(S2)C(C3=O)NC(=O)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+]3(C(S2)C(C3=O)NC(=O)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H16N2O5S/c23-16(12-27-14-9-5-2-6-10-14)21-17-18(24)22(20(25)26)11-15(28-19(17)22)13-7-3-1-4-8-13/h1-11,17,19H,12H2,(H-,21,23,25,26)/p+1