[(4aR,5S,8aR)-2-(4-methoxyphenyl)-8a-[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethylsulfonyl)amino]-8-(oxan-2-yloxy)oct-3-enyl]-1-oxidanylidene-4,4a,5,6-tetrahydro-3H-isoquinolin-5-yl] ethanoate

Systemtic Name: [(4aR,5S,8aR)-2-(4-methoxyphenyl)-8a-[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethylsulfonyl)amino]-8-(oxan-2-yloxy)oct-3-enyl]-1-oxidanylidene-4,4a,5,6-tetrahydro-3H-isoquinolin-5-yl] ethanoate Openeye Name: [(4aR,5S,8aR)-8a-[(Z,2R)-2-[tert-butoxycarbonyl(2-trimethylsilylethylsulfonyl)amino]-8-tetrahydropyran-2-yloxy-oct-3-enyl]-2-(4-methoxyphenyl)-1-oxo-4,4a,5,6-tetrahydro-3H-isoquinolin-5-yl] acetate CAS Name: acetic acid [(4aR,5S,8aR)-2-(4-methoxyphenyl)-8a-[(Z,2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-trimethylsilylethylsulfonyl)amino]-8-(2-oxanyloxy)oct-3-enyl]-1-oxo-4,4a,5,6-tetrahydro-3H-isoquinolin-5-yl] ester IUPAC Name: [(4aR,5S,8aR)-2-(4-methoxyphenyl)-8a-[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethylsulfonyl)amino]-8-(oxan-2-yloxy)oct-3-enyl]-1-oxo-4,4a,5,6-tetrahydro-3H-isoquinolin-5-yl] acetate Traditional Name: acetic acid [(4aR,5S,8aR)-8a-[(Z,2R)-2-[tert-butoxycarbonyl(2-trimethylsilylethylsulfonyl)amino]-8-tetrahydropyran-2-yloxy-oct-3-enyl]-1-keto-2-(4-methoxyphenyl)-4,4a,5,6-tetrahydro-3H-isoquinolin-5-yl] ester Formula: C41H64N2O10SSi MolecularWeight: 805.10476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC=CC2(C1CCN(C2=O)C3=CC=C(C=C3)OC)CC(C=CCCCCOC4CCCCO4)N(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C

Isomeric SMILES

CC(=O)O[C@H]1CC=C[C@@]2([C@H]1CCN(C2=O)C3=CC=C(C=C3)OC)C[C@H](/C=C\CCCCOC4CCCCO4)N(C(=O)OC(C)(C)C)S(=O)(=O)CC[Si](C)(C)C

InChI

InChI=1S/C41H64N2O10SSi/c1-31(44)52-36-17-15-24-41(35(36)23-25-42(38(41)45)32-19-21-34(49-5)22-20-32)30-33(16-11-9-10-13-26-50-37-18-12-14-27-51-37)43(39(46)53-40(2,3)4)54(47,48)28-29-55(6,7)8/h11,15-16,19-22,24,33,35-37H,9-10,12-14,17-18,23,25-30H2,1-8H3/b16-11-/t33-,35-,36-,37?,41-/m0/s1