[(E)-3-(3-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-(3-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-(3-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-(3-carbamoyl-1-pyridin-1-iumyl)prop-1-enyl] ester IUPAC Name: [(E)-3-(3-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-(3-carbamoylpyridin-1-ium-1-yl)prop-1-enyl] ester Formula: C16H16N3O4S+ MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c17-15(21)11-3-1-5-18(10-11)6-2-7-23-16(22)12-4-8-24-14-9-13(20)19(12)14/h1-5,7,10,14H,6,8-9H2,(H-,17,21)/p+1/b7-2+