1-(ethylamino)-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-4-carboxylic acid

Systemtic Name: 1-(ethylamino)-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Openeye Name: 1-(ethylamino)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-4-carboxylic acid CAS Name: 1-(ethylamino)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-4-carboxylic acid IUPAC Name: 1-(ethylamino)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Traditional Name: 1-(ethylamino)-8-keto-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Formula: C9H13N2O3S+ MolecularWeight: 229.27612

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+]12C=CC(SC1CC2=O)C(=O)O

Isomeric SMILES

CCN[N+]12C=CC(SC1CC2=O)C(=O)O

InChI

InChI=1S/C9H12N2O3S/c1-2-10-11-4-3-6(9(13)14)15-8(11)5-7(11)12/h3-4,6,8,10H,2,5H2,1H3/p+1