3-(azidomethyl)-8-oxidanylidene-7-(2-pyridin-4-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(azidomethyl)-8-oxidanylidene-7-(2-pyridin-4-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(azidomethyl)-8-oxo-7-[[2-(4-pyridylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(azidomethyl)-8-oxo-7-[(1-oxo-2-pyridin-4-ylsulfinylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(azidomethyl)-8-oxo-7-[(2-pyridin-4-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(azidomethyl)-8-keto-7-[[2-(4-pyridylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N6O5S2 MolecularWeight: 422.43886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CS(=O)C3=CC=NC=C3)C(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CS(=O)C3=CC=NC=C3)C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C15H14N6O5S2/c16-20-18-5-8-6-27-14-11(13(23)21(14)12(8)15(24)25)19-10(22)7-28(26)9-1-3-17-4-2-9/h1-4,11,14H,5-7H2,(H,19,22)(H,24,25)