ethyl 2-phenyl-2-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-phenyl-2-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]acetate Traditional Name: 2-[[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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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)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C28H30N4O4S2/c1-3-17-37-26-21(11-8-14-29-26)27(34)32-15-12-20(13-16-32)25-30-22(18-38-25)24(33)31-23(28(35)36-4-2)19-9-6-5-7-10-19/h3,5-11,14,18,20,23H,1,4,12-13,15-17H2,2H3,(H,31,33)