3-(acetyloxymethyl)-7-(cyanomethylsulfanyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-(cyanomethylsulfanyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-(cyanomethylsulfanyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-(cyanomethylthio)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-(cyanomethylsulfanyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-(cyanomethylthio)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(OC)SCC#N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(OC)SCC#N)SC1)C(=O)O

InChI

InChI=1S/C13H14N2O6S2/c1-7(16)21-5-8-6-22-12-13(20-2,23-4-3-14)11(19)15(12)9(8)10(17)18/h12H,4-6H2,1-2H3,(H,17,18)