methyl 7-azanyl-3-(azidomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 7-azanyl-3-(azidomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 7-amino-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-amino-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(azidomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C9H11N5O3S MolecularWeight: 269.28034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2N)CN=[N+]=[N-]

Isomeric SMILES

COC(=O)C1=C(CSC2N1C(=O)C2N)CN=[N+]=[N-]

InChI

InChI=1S/C9H11N5O3S/c1-17-9(16)6-4(2-12-13-11)3-18-8-5(10)7(15)14(6)8/h5,8H,2-3,10H2,1H3