[3-[2-[3-(5,6-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)propyl-methyl-amino]ethyl]-1-benzothiophen-6-yl] methanesulfonate

Systemtic Name: [3-[2-[3-(5,6-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)propyl-methyl-amino]ethyl]-1-benzothiophen-6-yl] methanesulfonate Openeye Name: [3-[2-[3-(5,6-dimethoxy-1-oxo-isoindolin-2-yl)propyl-methyl-amino]ethyl]benzothiophen-6-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-[3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)propyl-methylamino]ethyl]-1-benzothiophen-6-yl] ester IUPAC Name: [3-[2-[3-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)propyl-methylamino]ethyl]-1-benzothiophen-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-[3-(1-keto-5,6-dimethoxy-isoindolin-2-yl)propyl-methyl-amino]ethyl]benzothiophen-6-yl] ester Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CSC4=C3C=CC(=C4)OS(=O)(=O)C

Isomeric SMILES

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CSC4=C3C=CC(=C4)OS(=O)(=O)C

InChI

InChI=1S/C25H30N2O6S2/c1-26(11-8-17-16-34-24-13-19(6-7-20(17)24)33-35(4,29)30)9-5-10-27-15-18-12-22(31-2)23(32-3)14-21(18)25(27)28/h6-7,12-14,16H,5,8-11,15H2,1-4H3