Catalog Number:
AG0034U6
Chemical Name:
Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
CAS Number:
37842-58-3
Molecular Formula:
C12H16N2O5S
Molecular Weight:
300.3308
MDL Number:
MFCD00666813
IUPAC Name:
ethyl 2-amino-2-cyanoacetate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C5H8N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-9-5(8)4(7)3-6/h2-5H,1H3,(H,8,9,10);4H,2,7H2,1H3
InChI Key:
IJPUEWDLGXTFSX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
NSC Number:
150033
