2-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(4-benzyloxy-3-ethoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-benzoxy-3-ethoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C21H21N2O4S- MolecularWeight: 397.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=NC(=C(S2)C(=O)[O-])C)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=NC(=C(S2)C(=O)[O-])C)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-3-26-18-11-16(12-22-21-23-14(2)19(28-21)20(24)25)9-10-17(18)27-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H,24,25)/p-1