ethyl 1-[3,4,5-triacetyloxy-6-[(2-prop-2-enylsulfanylpyridin-3-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[(2-prop-2-enylsulfanylpyridin-3-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[(2-allylsulfanylpyridine-3-carbonyl)amino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[(2-prop-2-enylsulfanylpyridine-3-carbonyl)amino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[[2-(allylthio)nicotinoyl]amino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C29H37N3O11S MolecularWeight: 635.68258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=C(N=CC=C3)SCC=C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=C(N=CC=C3)SCC=C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H37N3O11S/c1-6-15-44-27-20(9-8-12-30-27)25(36)31-26-23(42-18(5)35)21(40-16(3)33)22(41-17(4)34)24(43-26)28(37)32-13-10-19(11-14-32)29(38)39-7-2/h6,8-9,12,19,21-24,26H,1,7,10-11,13-15H2,2-5H3,(H,31,36)