Analyte Name

(Pivaloyloxy)methyl Cefditoren (Mixture of Diastereomers)

Molecular Formula

C31H40N6O10S3

Molecular Weight

752.88

Accurate Mass

752.2

SMILES

CC(N=CS1)=C1/C=C\C2=C(C(OCOC(C(C)(C)C)=O)=O)NC(C(NC(/C(C3=CN=C(N)S3)=N/OC)=O)([H])C(OCOC(C(C)(C)C)=O)=O)([H])SC2

InChI

InChI=1S/C31H40N6O10S3/c1-16-18(49-13-34-16)10-9-17-12-48-24(36-20(17)25(39)44-14-46-27(41)30(2,3)4)22(26(40)45-15-47-28(42)31(5,6)7)35-23(38)21(37-43-8)19-11-33-29(32)50-19/h9-11,13,22,24,36H,12,14-15H2,1-8H3,(H2,32,33)(H,35,38)/b10-9-,37-21+

IUPAC

(Pivaloyloxy)methyl 2-((Z)-4-(2-aminothiazol-5-yl)-13,13-dimethyl-5,8,12-trioxo-2,9,11-trioxa-3,6-diazatetradec-3-en-7-yl)-5-((Z)-2-(4-methylthiazol-5-yl)vinyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate

Country of Origin

CANADA

Product Format

Neat