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

Systemtic Name: ethyl 3-phenyl-2-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 2-[[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate Traditional Name: 2-[[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O4S2/c1-3-17-38-27-22(11-8-14-30-27)28(35)33-15-12-21(13-16-33)26-32-24(19-39-26)25(34)31-23(29(36)37-4-2)18-20-9-6-5-7-10-20/h3,5-11,14,19,21,23H,1,4,12-13,15-18H2,2H3,(H,31,34)