2-[2-(octylamino)-4-phenyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(octylamino)-4-phenyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(octylamino)-4-phenyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(octylamino)-4-phenyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(octylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(octylamino)-4-phenyl-thiazol-5-yl]acetic acid Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(=C(S1)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC1=NC(=C(S1)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O2S/c1-2-3-4-5-6-10-13-20-19-21-18(15-11-8-7-9-12-15)16(24-19)14-17(22)23/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,20,21)(H,22,23)