methyl (4aS,5R,9S,13bR)-11,12-dimethoxy-5-methylsulfonyloxy-3,6-bis(oxidanylidene)-9-(phenylsulfinyl)-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate

Systemtic Name: methyl (4aS,5R,9S,13bR)-11,12-dimethoxy-5-methylsulfonyloxy-3,6-bis(oxidanylidene)-9-(phenylsulfinyl)-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate Openeye Name: methyl (4aS,5R,9S,13bR)-9-(benzenesulfinyl)-11,12-dimethoxy-5-methylsulfonyloxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate CAS Name: (4aS,5R,9S,13bR)-9-(benzenesulfinyl)-11,12-dimethoxy-5-methylsulfonyloxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,5R,9S,13bR)-9-(benzenesulfinyl)-11,12-dimethoxy-5-methylsulfonyloxy-3,6-dioxo-1,2,4,5,8,9-hexahydroindolo[7a,1-a]isoquinoline-4a-carboxylate Traditional Name: (4aS,5R,9S,13bR)-9-(benzenesulfinyl)-3,6-diketo-11,12-dimethoxy-5-methylsulfonyloxy-1,2,4,5,8,9-hexahydroindol[7a,1-a]isoquinoline-4a-carboxylic acid methyl ester Formula: C27H29NO10S2 MolecularWeight: 591.64986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(CN3C24CCC(=O)CC4(C(C3=O)OS(=O)(=O)C)C(=O)OC)S(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H](CN3[C@]24CCC(=O)C[C@]4([C@H](C3=O)OS(=O)(=O)C)C(=O)OC)S(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H29NO10S2/c1-35-20-12-18-19(13-21(20)36-2)27-11-10-16(29)14-26(27,25(31)37-3)23(38-40(4,33)34)24(30)28(27)15-22(18)39(32)17-8-6-5-7-9-17/h5-9,12-13,22-23H,10-11,14-15H2,1-4H3/t22-,23+,26+,27-,39?/m1/s1