ethanedioic acid; 2-[2-(6-fluoranyl-1-benzothiophen-5-yl)ethoxy]-N-methyl-N-(phenylmethyl)ethanamine

Systemtic Name: ethanedioic acid; 2-[2-(6-fluoranyl-1-benzothiophen-5-yl)ethoxy]-N-methyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-[2-(6-fluorobenzothiophen-5-yl)ethoxy]-N-methyl-ethanamine; oxalic acid CAS Name: 2-[2-(6-fluoro-1-benzothiophen-5-yl)ethoxy]-N-methyl-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-[2-(6-fluoro-1-benzothiophen-5-yl)ethoxy]-N-methylethanamine; oxalic acid Traditional Name: benzyl-[2-[2-(6-fluorobenzothiophen-5-yl)ethoxy]ethyl]-methyl-amine; oxalic acid Formula: C22H24FNO5S MolecularWeight: 433.493063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOCCC1=C(C=C2C(=C1)C=CS2)F)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCOCCC1=C(C=C2C(=C1)C=CS2)F)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22FNOS.C2H2O4/c1-22(15-16-5-3-2-4-6-16)9-11-23-10-7-17-13-18-8-12-24-20(18)14-19(17)21;3-1(4)2(5)6/h2-6,8,12-14H,7,9-11,15H2,1H3;(H,3,4)(H,5,6)