[(2S)-2-[(3aR,4R,9aR,9bS)-1,3-bis(oxidanylidene)-3a,4,6,7,8,9,9a,9b-octahydrobenzo[e][2]benzofuran-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanoate

Systemtic Name: [(2S)-2-[(3aR,4R,9aR,9bS)-1,3-bis(oxidanylidene)-3a,4,6,7,8,9,9a,9b-octahydrobenzo[e][2]benzofuran-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanoate Openeye Name: [(2S)-2-[(3aR,4R,9aR,9bS)-1,3-dioxo-3a,4,6,7,8,9,9a,9b-octahydrobenzo[e]isobenzofuran-4-yl]-2-(tert-butoxycarbonylamino)ethyl] acetate CAS Name: acetic acid [(2S)-2-[(3aR,4R,9aR,9bS)-1,3-dioxo-3a,4,6,7,8,9,9a,9b-octahydrobenzo[e]isobenzofuran-4-yl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl] ester IUPAC Name: [(2S)-2-[(3aR,4R,9aR,9bS)-1,3-dioxo-3a,4,6,7,8,9,9a,9b-octahydrobenzo[e][2]benzofuran-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate Traditional Name: acetic acid [(2S)-2-[(3aR,4R,9aR,9bS)-1,3-diketo-3a,4,6,7,8,9,9a,9b-octahydrobenz[e]isobenzofuran-4-yl]-2-(tert-butoxycarbonylamino)ethyl] ester Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1C=C2CCCCC2C3C1C(=O)OC3=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC[C@H]([C@@H]1C=C2CCCC[C@@H]2[C@H]3[C@@H]1C(=O)OC3=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO7/c1-11(23)27-10-15(22-20(26)29-21(2,3)4)14-9-12-7-5-6-8-13(12)16-17(14)19(25)28-18(16)24/h9,13-17H,5-8,10H2,1-4H3,(H,22,26)/t13-,14-,15+,16-,17+/m0/s1