3-(cyanomethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-sulfanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(cyanomethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-sulfanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(cyanomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thioxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(cyanomethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-sulfanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(cyanomethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-sulfanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(cyanomethyl)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thioxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C3C(=S)SC(=C(N3C2=O)C(=O)O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C3C(=S)SC(=C(N3C2=O)C(=O)O)CC#N

InChI

InChI=1S/C17H13N3O5S2/c18-7-6-10-13(16(23)24)20-14(17(26)27-10)12(15(20)22)19-11(21)8-25-9-4-2-1-3-5-9/h1-5,12,14H,6,8H2,(H,19,21)(H,23,24)