methyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]amino]butyric acid methyl ester Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC=C

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SCC=C

InChI

InChI=1S/C23H28N4O4S2/c1-3-14-32-22-17(6-4-11-25-22)23(30)27-12-8-16(9-13-27)21-26-18(15-33-21)20(29)24-10-5-7-19(28)31-2/h3-4,6,11,15-16H,1,5,7-10,12-14H2,2H3,(H,24,29)