(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H18N4O2S2 MolecularWeight: 410.51252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CSC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CSC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C20H18N4O2S2/c21-9-14-1-2-18(22-10-14)24-6-3-15(4-7-24)20(25)26-11-17-13-28-19(23-17)16-5-8-27-12-16/h1-2,5,8,10,12-13,15H,3-4,6-7,11H2