[3-[2-[3-(7,8-dimethoxy-2-oxidanylidene-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]-1-benzothiophen-6-yl] methanesulfonate

Systemtic Name: [3-[2-[3-(7,8-dimethoxy-2-oxidanylidene-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]-1-benzothiophen-6-yl] methanesulfonate Openeye Name: [3-[2-[3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzothiophen-6-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-[3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propyl-methylamino]ethyl]-1-benzothiophen-6-yl] ester IUPAC Name: [3-[2-[3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propyl-methylamino]ethyl]-1-benzothiophen-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-[3-(2-keto-7,8-dimethoxy-1H-3-benzazepin-3-yl)propyl-methyl-amino]ethyl]benzothiophen-6-yl] ester Formula: C27H32N2O6S2 MolecularWeight: 544.68278

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C=CC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CSC4=C3C=CC(=C4)OS(=O)(=O)C

Isomeric SMILES

CN(CCCN1C=CC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CSC4=C3C=CC(=C4)OS(=O)(=O)C

InChI

InChI=1S/C27H32N2O6S2/c1-28(12-8-20-18-36-26-17-22(6-7-23(20)26)35-37(4,31)32)10-5-11-29-13-9-19-14-24(33-2)25(34-3)15-21(19)16-27(29)30/h6-7,9,13-15,17-18H,5,8,10-12,16H2,1-4H3