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

Systemtic Name: methyl 1-methyl-4-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]pyrrole-2-carboxylate Openeye Name: methyl 4-[[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]amino]-1-methyl-pyrrole-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-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]pyrrole-2-carboxylate Traditional Name: 4-[[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C25H27N5O4S2 MolecularWeight: 525.64298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C25H27N5O4S2/c1-4-12-35-23-18(6-5-9-26-23)24(32)30-10-7-16(8-11-30)22-28-19(15-36-22)21(31)27-17-13-20(25(33)34-3)29(2)14-17/h4-6,9,13-16H,1,7-8,10-12H2,2-3H3,(H,27,31)