2-[2-[(4-butoxyphenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-butoxyphenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(4-butoxyphenyl)methylamino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[(4-butoxyphenyl)methylamino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(4-butoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(4-butoxybenzyl)amino]thiazol-4-yl]acetic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC2=NC(=CS2)CC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-2-3-8-21-14-6-4-12(5-7-14)10-17-16-18-13(11-22-16)9-15(19)20/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)(H,19,20)