7-azido-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azido-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-azido-8-oxo-3-(4-pyridylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-azido-8-oxo-3-[(pyridin-4-ylthio)methyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-azido-8-oxo-3-(pyridin-4-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-azido-8-keto-3-[(4-pyridylthio)methyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(O1)CSC3=CC=NC=C3)C(=O)O)N=[N+]=[N-]

Isomeric SMILES

C1C2C(C(=O)N2C(=C(O1)CSC3=CC=NC=C3)C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C13H11N5O4S/c14-17-16-10-8-5-22-9(6-23-7-1-3-15-4-2-7)11(13(20)21)18(8)12(10)19/h1-4,8,10H,5-6H2,(H,20,21)