ethyl 1-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCC=C

InChI

InChI=1S/C26H32N4O4S2/c1-3-15-35-23-20(8-5-11-27-23)24(31)29-13-9-18(10-14-29)22-28-21(17-36-22)25(32)30-12-6-7-19(16-30)26(33)34-4-2/h3,5,8,11,17-19H,1,4,6-7,9-10,12-16H2,2H3