ethyl 1-[3,4,5-triacetyloxy-6-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[(4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[[1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[[4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C32H43N5O11S MolecularWeight: 705.77572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=CN=C4C(=C3SC(C)C)C(=NN4C)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=CN=C4C(=C3SC(C)C)C(=NN4C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H43N5O11S/c1-9-44-32(43)20-10-12-37(13-11-20)31(42)26-24(46-18(6)39)23(45-17(5)38)25(47-19(7)40)30(48-26)34-29(41)21-14-33-28-22(16(4)35-36(28)8)27(21)49-15(2)3/h14-15,20,23-26,30H,9-13H2,1-8H3,(H,34,41)