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

Systemtic Name: 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenoxyacetyl)amino]-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-mercapto-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenoxyacetyl)amino]-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-mercapto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N2O5S2 MolecularWeight: 366.41206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C15H14N2O5S2/c18-10(6-22-8-4-2-1-3-5-8)16-11-13(19)17-12(15(20)21)9(23)7-24-14(11)17/h1-5,11,14,23H,6-7H2,(H,16,18)(H,20,21)