3-(2-azanyl-2-azanylidene-ethyl)-7-(1H-imidazol-2-ylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanyl-2-azanylidene-ethyl)-7-(1H-imidazol-2-ylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-amino-2-imino-ethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-amino-2-iminoethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-amino-2-iminoethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(2-amino-2-imino-ethyl)-7-(1H-imidazol-2-ylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC3=NC=CN3)C(=O)O)CC(=N)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC3=NC=CN3)C(=O)O)CC(=N)N

InChI

InChI=1S/C12H14N6O3S/c13-6(14)3-5-4-22-10-7(17-12-15-1-2-16-12)9(19)18(10)8(5)11(20)21/h1-2,7,10H,3-4H2,(H3,13,14)(H,20,21)(H2,15,16,17)