8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(N=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C3N(C2=O)C(N=CS3)C(=O)O

InChI

InChI=1S/C14H13N3O5S/c18-9(6-22-8-4-2-1-3-5-8)16-10-12(19)17-11(14(20)21)15-7-23-13(10)17/h1-5,7,10-11,13H,6H2,(H,16,18)(H,20,21)