4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]thiazole-2-carboxylic acid CAS Name: 4-[[2-cyanoethyl(3-pyridinylmethyl)amino]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]thiazole-2-carboxylic acid Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C14H14N4O2S/c15-4-2-6-18(8-11-3-1-5-16-7-11)9-12-10-21-13(17-12)14(19)20/h1,3,5,7,10H,2,6,8-9H2,(H,19,20)