[(E)-3-(4-aminocarbonylpyridin-1-ium-1-yl)prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [(E)-3-(4-aminocarbonylpyridin-1-ium-1-yl)prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(E)-3-(4-carbamoylpyridin-1-ium-1-yl)prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-3-(4-carbamoyl-1-pyridin-1-iumyl)prop-1-enyl] ester IUPAC Name: [(E)-3-(4-carbamoylpyridin-1-ium-1-yl)prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-3-(4-carbamoylpyridin-1-ium-1-yl)prop-1-enyl] ester Formula: C16H16N3O4S+ MolecularWeight: 346.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OC=CC[N+]3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)O/C=C/C[N+]3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H15N3O4S/c17-15(21)11-2-6-18(7-3-11)5-1-8-23-16(22)12-4-9-24-14-10-13(20)19(12)14/h1-4,6-8,14H,5,9-10H2,(H-,17,21)/p+1/b8-1+