N-[3-(2-dimethylaminoethyl)-1-benzothiophen-5-yl]-4-fluoranyl-benzamide; ethanedioic acid

Systemtic Name: N-[3-(2-dimethylaminoethyl)-1-benzothiophen-5-yl]-4-fluoranyl-benzamide; ethanedioic acid Openeye Name: N-[3-(2-dimethylaminoethyl)benzothiophen-5-yl]-4-fluoro-benzamide; oxalic acid CAS Name: N-[3-(2-dimethylaminoethyl)-1-benzothiophen-5-yl]-4-fluorobenzamide; oxalic acid IUPAC Name: N-[3-(2-dimethylaminoethyl)-1-benzothiophen-5-yl]-4-fluorobenzamide; oxalic acid Traditional Name: N-[3-(2-dimethylaminoethyl)benzothiophen-5-yl]-4-fluoro-benzamide; oxalic acid Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CSC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CSC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19FN2OS.C2H2O4/c1-22(2)10-9-14-12-24-18-8-7-16(11-17(14)18)21-19(23)13-3-5-15(20)6-4-13;3-1(4)2(5)6/h3-8,11-12H,9-10H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)