ethyl 2-azanyl-2-cyano-ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 2-azanyl-2-cyano-ethanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 2-amino-2-cyano-acetate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-cyanoacetic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 2-amino-2-cyanoacetate; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-cyano-acetic acid ethyl ester; tosylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C(C#N)N.CC1=CC=C(C=C1)S(=O)(=O)O

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