ethyl 1-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-2-33-26(32)21-12-16-29(17-13-21)25(31)22-18-34-24(27-22)20-10-14-28(15-11-20)23(30)9-8-19-6-4-3-5-7-19/h3-7,18,20-21H,2,10-17H2,1H3