2-(2-aminophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; 2-(2-butylphenyl)-N-methyl-ethanamine

Systemtic Name: 2-(2-aminophenyl)sulfanyloxy-2-oxidanylidene-ethanoic acid; 2-(2-butylphenyl)-N-methyl-ethanamine Openeye Name: 2-(2-aminophenyl)sulfanyloxy-2-oxo-acetic acid; 2-(2-butylphenyl)-N-methyl-ethanamine CAS Name: 2-[(2-aminophenyl)thio]oxy-2-oxoacetic acid; 2-(2-butylphenyl)-N-methylethanamine IUPAC Name: 2-(2-aminophenyl)sulfanyloxy-2-oxoacetic acid; 2-(2-butylphenyl)-N-methylethanamine Traditional Name: 2-[(2-aminophenyl)thio]oxy-2-keto-acetic acid; 2-(2-butylphenyl)ethyl-methyl-amine Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1CCNC.C1=CC=C(C(=C1)N)SOC(=O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1CCNC.C1=CC=C(C(=C1)N)SOC(=O)C(=O)O

InChI

InChI=1S/C13H21N.C8H7NO4S/c1-3-4-7-12-8-5-6-9-13(12)10-11-14-2;9-5-3-1-2-4-6(5)14-13-8(12)7(10)11/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3;1-4H,9H2,(H,10,11)