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

Systemtic Name: 3-(acetyloxymethyl)-7-(octanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-(octanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-8-oxo-7-(1-oxooctylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-(octanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-(caprylylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

InChI

InChI=1S/C18H26N2O6S/c1-3-4-5-6-7-8-13(22)19-14-16(23)20-15(18(24)25)12(9-26-11(2)21)10-27-17(14)20/h14,17H,3-10H2,1-2H3,(H,19,22)(H,24,25)