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

Systemtic Name: 3-(acetyloxymethyl)-7-(1-cyanoethylsulfonyl)-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-(1-cyanoethylsulfonyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-(1-cyanoethylsulfonyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-(1-cyanoethylsulfonyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-(1-cyanoethylsulfonyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H16N2O8S2 MolecularWeight: 404.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)S(=O)(=O)C1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)OC

Isomeric SMILES

CC(C#N)S(=O)(=O)C1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)OC

InChI

InChI=1S/C14H16N2O8S2/c1-7(4-15)26(21,22)14(23-3)12(20)16-10(11(18)19)9(5-24-8(2)17)6-25-13(14)16/h7,13H,5-6H2,1-3H3,(H,18,19)