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

Systemtic Name: 5-(3-cyanopyridin-4-yl)-4-methyl-1,3-thiazole-2-carboxylate Openeye Name: 5-(3-cyano-4-pyridyl)-4-methyl-thiazole-2-carboxylate CAS Name: 5-(3-cyano-4-pyridinyl)-4-methyl-2-thiazolecarboxylate IUPAC Name: 5-(3-cyanopyridin-4-yl)-4-methyl-1,3-thiazole-2-carboxylate Traditional Name: 5-(3-cyano-4-pyridyl)-4-methyl-thiazole-2-carboxylate Formula: C11H6N3O2S- MolecularWeight: 244.24924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(=O)[O-])C2=C(C=NC=C2)C#N

Isomeric SMILES

CC1=C(SC(=N1)C(=O)[O-])C2=C(C=NC=C2)C#N

InChI

InChI=1S/C11H7N3O2S/c1-6-9(17-10(14-6)11(15)16)8-2-3-13-5-7(8)4-12/h2-3,5H,1H3,(H,15,16)/p-1