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

Systemtic Name: ethyl 1-methyl-4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]imidazole-2-carboxylate Openeye Name: ethyl 4-[[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]amino]-1-methyl-imidazole-2-carboxylate CAS Name: 1-methyl-4-[[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]imidazole-2-carboxylate Traditional Name: 4-[[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]amino]-1-methyl-imidazole-2-carboxylic acid ethyl ester Formula: C25H28N6O4S2 MolecularWeight: 540.65762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CN1C)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCOC(=O)C1=NC(=CN1C)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C25H28N6O4S2/c1-4-13-36-23-17(7-6-10-26-23)24(33)31-11-8-16(9-12-31)22-27-18(15-37-22)21(32)29-19-14-30(3)20(28-19)25(34)35-5-2/h4,6-7,10,14-16H,1,5,8-9,11-13H2,2-3H3,(H,29,32)