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

Systemtic Name: methyl 4-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carbonyl]amino]butyric acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-30-21(28)8-5-13-24-22(29)19-16-31-23(25-19)18-11-14-26(15-12-18)20(27)10-9-17-6-3-2-4-7-17/h2-4,6-7,16,18H,5,8,11-15H2,1H3,(H,24,29)