1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-one; ethanedioic acid

Systemtic Name: 1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-one; ethanedioic acid Openeye Name: 1-(benzothiophen-2-yl)-3-(dimethylamino)propan-1-one; oxalic acid CAS Name: 1-(1-benzothiophen-2-yl)-3-(dimethylamino)-1-propanone; oxalic acid IUPAC Name: 1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-one; oxalic acid Traditional Name: 1-(benzothiophen-2-yl)-3-(dimethylamino)propan-1-one; oxalic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)C1=CC2=CC=CC=C2S1.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC(=O)C1=CC2=CC=CC=C2S1.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15NOS.C2H2O4/c1-14(2)8-7-11(15)13-9-10-5-3-4-6-12(10)16-13;3-1(4)2(5)6/h3-6,9H,7-8H2,1-2H3;(H,3,4)(H,5,6)