2-(4-fluorophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; N-methyl-2-(2-pentylphenyl)ethanamine

Systemtic Name: 2-(4-fluorophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; N-methyl-2-(2-pentylphenyl)ethanamine Openeye Name: 2-(4-fluorophenyl)sulfanyloxy-2-oxo-acetic acid; N-methyl-2-(2-pentylphenyl)ethanamine CAS Name: 2-[(4-fluorophenyl)thio]oxy-2-oxoacetic acid; N-methyl-2-(2-pentylphenyl)ethanamine IUPAC Name: 2-(4-fluorophenyl)sulfanyloxy-2-oxoacetic acid; N-methyl-2-(2-pentylphenyl)ethanamine Traditional Name: 2-(2-amylphenyl)ethyl-methyl-amine; 2-[(4-fluorophenyl)thio]oxy-2-keto-acetic acid Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1CCNC.C1=CC(=CC=C1F)SOC(=O)C(=O)O

Isomeric SMILES

CCCCCC1=CC=CC=C1CCNC.C1=CC(=CC=C1F)SOC(=O)C(=O)O

InChI

InChI=1S/C14H23N.C8H5FO4S/c1-3-4-5-8-13-9-6-7-10-14(13)11-12-15-2;9-5-1-3-6(4-2-5)14-13-8(12)7(10)11/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3;1-4H,(H,10,11)