2-[2-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(4-benzyloxy-3-ethoxy-phenyl)methylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-benzoxy-3-ethoxy-benzyl)amino]thiazol-4-yl]acetate Formula: C21H21N2O4S- MolecularWeight: 397.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=NC(=CS2)CC(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=NC(=CS2)CC(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-2-26-19-10-16(12-22-21-23-17(14-28-21)11-20(24)25)8-9-18(19)27-13-15-6-4-3-5-7-15/h3-10,14H,2,11-13H2,1H3,(H,22,23)(H,24,25)/p-1