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

Systemtic Name: 7-oxidanylidene-6-(2-phenoxyethanoylamino)-3-propan-2-yl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 3-isopropyl-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-propan-2-yl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 7-oxo-6-[(2-phenoxyacetyl)amino]-3-propan-2-yl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 3-isopropyl-7-keto-6-[(2-phenoxyacetyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C17H19N2O5S+ MolecularWeight: 363.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C[N+]2(C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C[N+]2(C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S/c1-10(2)12-8-19(17(22)23)15(21)14(16(19)25-12)18-13(20)9-24-11-6-4-3-5-7-11/h3-8,10,14,16H,9H2,1-2H3,(H-,18,20,22,23)/p+1