3-(carbamimidoylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(carbamimidoylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamimidoylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(carbamimidoylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamimidoylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(amidinothio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H11N3O3S2 MolecularWeight: 273.33194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CSC(=N)N)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CSC(=N)N)C(=O)O

InChI

InChI=1S/C9H11N3O3S2/c10-9(11)17-3-4-2-16-6-1-5(13)12(6)7(4)8(14)15/h6H,1-3H2,(H3,10,11)(H,14,15)