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

Systemtic Name: ethyl 2-phenyl-2-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-phenyl-2-[[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]acetate Traditional Name: 2-phenyl-2-[[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]amino]acetic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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