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

Systemtic Name: 3-ethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 3-ethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 3-ethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 3-ethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 3-ethyl-7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C16H17N2O5S+ MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+]2(C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C[N+]2(C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H16N2O5S/c1-2-11-8-18(16(21)22)14(20)13(15(18)24-11)17-12(19)9-23-10-6-4-3-5-7-10/h3-8,13,15H,2,9H2,1H3,(H-,17,19,21,22)/p+1