7-(acetyloxymethyl)-8-oxidanylidene-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(acetyloxymethyl)-8-oxidanylidene-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(acetoxymethyl)-7-(isopropylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(acetyloxymethyl)-8-oxo-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(acetyloxymethyl)-8-oxo-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(acetoxymethyl)-7-(isopropylideneamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1(C2N(C1=O)C(=CCS2)C(=O)O)COC(=O)C)C

Isomeric SMILES

CC(=NC1(C2N(C1=O)C(=CCS2)C(=O)O)COC(=O)C)C

InChI

InChI=1S/C13H16N2O5S/c1-7(2)14-13(6-20-8(3)16)11(19)15-9(10(17)18)4-5-21-12(13)15/h4,12H,5-6H2,1-3H3,(H,17,18)