7-[(2-azido-2-phenyl-ethanoyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azido-2-phenyl-ethanoyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-azido-2-phenyl-acetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-azido-1-oxo-2-phenylethyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-azido-2-phenylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-azido-2-phenyl-acetyl)amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N=[N+]=[N-])SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N=[N+]=[N-])SC1)C(=O)O

InChI

InChI=1S/C16H15N5O5S/c1-26-9-7-27-15-11(14(23)21(15)12(9)16(24)25)18-13(22)10(19-20-17)8-5-3-2-4-6-8/h2-6,10-11,15H,7H2,1H3,(H,18,22)(H,24,25)