Analyte Name

5-[Bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetic-13C4 Acid Methyl Ester

Molecular Formula

13C4 C14 H22 N2 O8 S

Molecular Weight

430.411

Accurate Mass

430.123

SMILES

CCO[13C](=O)[13CH2]N([13CH2][13C](=O)OCC)c1sc(C(=O)OC)c(CC(=O)OC)c1C#N

InChI

InChI=1S/C18H22N2O8S/c1-5-27-14(22)9-20(10-15(23)28-6-2)17-12(8-19)11(7-13(21)25-3)16(29-17)18(24)26-4/h5-7,9-10H2,1-4H3/i9+1,10+1,14+1,15+1

IUPAC

methyl 5-[bis(2-ethoxy-2-oxo(1,2-13C2)ethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate

Unlabelled CAS Number

674800-87-4

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat