(2R)-2-propyloctanoic acid; 6-(trifluoromethyloxy)-1,3-benzothiazol-2-amine

Systemtic Name: (2R)-2-propyloctanoic acid; 6-(trifluoromethyloxy)-1,3-benzothiazol-2-amine Openeye Name: (2R)-2-propyloctanoic acid; 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine CAS Name: (2R)-2-propyloctanoic acid; 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine IUPAC Name: (2R)-2-propyloctanoic acid; 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine Traditional Name: (2R)-2-propylcaprylic acid; [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amine Formula: C19H27F3N2O3S MolecularWeight: 420.48949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)C(=O)O.C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N

Isomeric SMILES

CCCCCC[C@@H](CCC)C(=O)O.C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N

InChI

InChI=1S/C11H22O2.C8H5F3N2OS/c1-3-5-6-7-9-10(8-4-2)11(12)13;9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h10H,3-9H2,1-2H3,(H,12,13);1-3H,(H2,12,13)/t10-;/m1./s1