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

Systemtic Name: 7-oxidanylidene-6-(2-phenoxyethanoylamino)-3-(phenylmethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 3-benzyl-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]-3-(phenylmethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 3-benzyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 3-benzyl-7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C21H19N2O5S+ MolecularWeight: 411.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+]3(C(S2)C(C3=O)NC(=O)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+]3(C(S2)C(C3=O)NC(=O)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N2O5S/c24-17(13-28-15-9-5-2-6-10-15)22-18-19(25)23(21(26)27)12-16(29-20(18)23)11-14-7-3-1-4-8-14/h1-10,12,18,20H,11,13H2,(H-,22,24,26,27)/p+1