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

Systemtic Name: 3-(aminomethyl)-7-(1H-imidazol-2-ylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(aminomethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(aminomethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(aminomethyl)-7-(1H-imidazol-2-ylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(aminomethyl)-7-(1H-imidazol-2-ylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5O3S/c12-3-5-4-20-9-6(15-11-13-1-2-14-11)8(17)16(9)7(5)10(18)19/h1-2,6,9H,3-4,12H2,(H,18,19)(H2,13,14,15)