3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-2-benzothiophen-1-one; ethanedioate

Systemtic Name: 3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-2-benzothiophen-1-one; ethanedioate Openeye Name: 3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-2-benzothiophen-1-one; oxalate CAS Name: 3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-2-benzothiophen-1-one; oxalate IUPAC Name: 3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-2-benzothiophen-1-one; oxalate Traditional Name: 3-(dimethylaminomethyl)-5,6,7-trimethoxy-3H-isobenzothiophen-1-one; oxalate Formula: C16H19NO8S-2 MolecularWeight: 385.38896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1C2=CC(=C(C(=C2C(=O)S1)OC)OC)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C)CC1C2=CC(=C(C(=C2C(=O)S1)OC)OC)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H19NO4S.C2H2O4/c1-15(2)7-10-8-6-9(17-3)12(18-4)13(19-5)11(8)14(16)20-10;3-1(4)2(5)6/h6,10H,7H2,1-5H3;(H,3,4)(H,5,6)/p-2