7-azanyl-3-(1-methyl-1,2,3,4-tetrazol-5-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-(1-methyl-1,2,3,4-tetrazol-5-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(1-methyltetrazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-(1-methyl-5-tetrazolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(1-methyltetrazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-(1-methyltetrazol-5-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H10N6O3S MolecularWeight: 282.2791

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)C2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C9H10N6O3S/c1-14-6(11-12-13-14)3-2-19-8-4(10)7(16)15(8)5(3)9(17)18/h4,8H,2,10H2,1H3,(H,17,18)