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

Systemtic Name: 3-(acetyloxymethyl)-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C17H17N2O7S+ MolecularWeight: 393.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C[N+]2(C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C[N+]2(C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H16N2O7S/c1-10(20)25-8-12-7-19(17(23)24)15(22)14(16(19)27-12)18-13(21)9-26-11-5-3-2-4-6-11/h2-7,14,16H,8-9H2,1H3,(H-,18,21,23,24)/p+1