7-azanyl-3-methylidene-8-oxidanylidene-1-(2-phenoxyethanoyl)-5-thia-1-azoniabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-azanyl-3-methylidene-8-oxidanylidene-1-(2-phenoxyethanoyl)-5-thia-1-azoniabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-amino-3-methylene-8-oxo-1-(2-phenoxyacetyl)-5-thia-1-azoniabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-amino-3-methylene-8-oxo-1-(1-oxo-2-phenoxyethyl)-5-thia-1-azoniabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-amino-3-methylidene-8-oxo-1-(2-phenoxyacetyl)-5-thia-1-azoniabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-methylene-1-(2-phenoxyacetyl)-5-thia-1-azoniabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H17N2O5S+ MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)[N+]2(C1C(=O)O)C(=O)COC3=CC=CC=C3)N

Isomeric SMILES

C=C1CSC2C(C(=O)[N+]2(C1C(=O)O)C(=O)COC3=CC=CC=C3)N

InChI

InChI=1S/C16H16N2O5S/c1-9-8-24-15-12(17)14(20)18(15,13(9)16(21)22)11(19)7-23-10-5-3-2-4-6-10/h2-6,12-13,15H,1,7-8,17H2/p+1