ethyl 2-[1-[5-(2-phenylethynyl)pyridin-3-yl]carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[5-(2-phenylethynyl)pyridin-3-yl]carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[5-(2-phenylethynyl)pyridine-3-carbonyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[oxo-[5-(2-phenylethynyl)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[5-(2-phenylethynyl)pyridine-3-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-[5-(2-phenylethynyl)nicotinoyl]-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=CN=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=CN=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-2-31-25(30)22-17-32-23(27-22)20-10-12-28(13-11-20)24(29)21-14-19(15-26-16-21)9-8-18-6-4-3-5-7-18/h3-7,14-17,20H,2,10-13H2,1H3