2-[2-[(3-methoxy-4-phenethyloxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-methoxy-4-phenethyloxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(3-methoxy-4-phenethyloxy-phenyl)methylamino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[(3-methoxy-4-phenethyloxyphenyl)methylamino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-methoxy-4-phenethyloxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(3-methoxy-4-phenethyloxy-benzyl)amino]thiazol-4-yl]acetic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC(=CS2)CC(=O)O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC(=CS2)CC(=O)O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-26-19-11-16(13-22-21-23-17(14-28-21)12-20(24)25)7-8-18(19)27-10-9-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,23)(H,24,25)