3-(acetyloxymethyl)-8-oxidanylidene-7-(thiophen-2-ylmethylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-7-(thiophen-2-ylmethylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(acetoxymethyl)-8-oxo-7-(2-thienylmethylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(acetyloxymethyl)-8-oxo-7-(thiophen-2-ylmethylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-(2-thenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H16N3O6S2- MolecularWeight: 410.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)NCC3=CC=CS3)SC1)C(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)NCC3=CC=CS3)SC1)C(=O)[O-]

InChI

InChI=1S/C16H17N3O6S2/c1-8(20)25-6-9-7-27-14-11(13(21)19(14)12(9)15(22)23)18-16(24)17-5-10-3-2-4-26-10/h2-4,11,14H,5-7H2,1H3,(H,22,23)(H2,17,18,24)/p-1