7-azanyl-3-(azidomethyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-(azidomethyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(azidomethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-(azidomethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(azidomethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-(azidomethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H11N5O4S MolecularWeight: 285.27974

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CN=[N+]=[N-])C(=O)O)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CN=[N+]=[N-])C(=O)O)N

InChI

InChI=1S/C9H11N5O4S/c1-18-9(10)7(17)14-5(6(15)16)4(2-12-13-11)3-19-8(9)14/h8H,2-3,10H2,1H3,(H,15,16)