ethyl 3-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate

Systemtic Name: ethyl 3-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: ethyl 3-[[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]amino]butanoate CAS Name: 3-[[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 3-[[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]amino]butyric acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-3-31-22(29)15-17(2)25-23(30)20-16-32-24(26-20)19-11-13-27(14-12-19)21(28)10-9-18-7-5-4-6-8-18/h4-8,16-17,19H,3,11-15H2,1-2H3,(H,25,30)