Analyte Name

1-(((6R,7R)-2-Carboxy-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-pyridinium Thiocyanate

CAS Number

10353-05-6

Molecular Formula

C19H18N3O4S2 . CNS

Molecular Weight

474.52

Accurate Mass

474.05

SMILES

N#C[S-].OC(C1=C(C[N+]2=CC=CC=C2)CS[C@@]([C@@H]3NC(CC4=CC=CS4)=O)([H])N1C3=O)=O

InChI

InChI=1S/C19H17N3O4S2.CHNS/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;2-1-3/h1-8,15,18H,9-11H2,(H-,20,23,25,26);3H/t15-,18-;/m1./s1

IUPAC

(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;thiocyanate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Native/Parent

Product Format

Neat