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

Systemtic Name: ethyl 3-phenyl-2-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-phenyl-2-[[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]amino]propanoate CAS Name: 2-[[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate Traditional Name: 3-phenyl-2-[[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-2-36-29(35)24(19-22-11-7-4-8-12-22)30-27(34)25-20-37-28(31-25)23-15-17-32(18-16-23)26(33)14-13-21-9-5-3-6-10-21/h3-12,20,23-24H,2,15-19H2,1H3,(H,30,34)