7-[(1-ethylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(1-ethylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(1-ethylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(1-ethyl-2-pyridin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(1-ethylpyridin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(1-ethylpyridin-1-ium-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H17N2O3S2+ MolecularWeight: 337.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1SCC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CC[N+]1=CC=CC=C1SCC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C15H16N2O3S2/c1-2-16-7-4-3-5-12(16)22-9-10-13(18)17-11(15(19)20)6-8-21-14(10)17/h3-7,10,14H,2,8-9H2,1H3/p+1