methyl 2-(2-cyanoethanoylamino)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-(2-cyanoethanoylamino)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(2-cyanoacetyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyanoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(2-cyanoacetyl)amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C9H9N3O3S MolecularWeight: 239.25106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CC#N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC#N)C(=O)OC

InChI

InChI=1S/C9H9N3O3S/c1-5-7(8(14)15-2)16-9(11-5)12-6(13)3-4-10/h3H2,1-2H3,(H,11,12,13)