ethyl 1-[3,4,5-triacetyloxy-6-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanoylamino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanoylamino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[2-[(6-methoxy-3-nitro-2-pyridyl)thio]propanoylamino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C29H38N4O14S MolecularWeight: 698.69542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C(C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C(C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H38N4O14S/c1-7-43-29(39)18-10-12-32(13-11-18)28(38)24-22(45-16(4)35)21(44-15(3)34)23(46-17(5)36)26(47-24)31-25(37)14(2)48-27-19(33(40)41)8-9-20(30-27)42-6/h8-9,14,18,21-24,26H,7,10-13H2,1-6H3,(H,31,37)