Analyte Name

7-[2-(5-Chloro-2-thienyl)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Acetate

CAS Number

93808-81-2

Molecular Formula

C16 H15 Cl N2 O6 S2

Molecular Weight

430.883

Accurate Mass

430.006

SMILES

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3ccc(Cl)s3)C2=O)C(=O)O

InChI

InChI=1S/C16H15ClN2O6S2/c1-7(20)25-5-8-6-26-15-12(14(22)19(15)13(8)16(23)24)18-11(21)4-9-2-3-10(17)27-9/h2-3,12,15H,4-6H2,1H3,(H,18,21)(H,23,24)/t12-,15-/m1/s1

IUPAC

(6R,7R)-3-(acetyloxymethyl)-7-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat