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

Systemtic Name: propan-2-yl 4-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]amino]benzoic acid isopropyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-19(2)35-28(34)22-9-11-23(12-10-22)29-26(33)24-18-36-27(30-24)21-14-16-31(17-15-21)25(32)13-8-20-6-4-3-5-7-20/h3-7,9-12,18-19,21H,14-17H2,1-2H3,(H,29,33)