2-[(3-methoxy-4-phenethyloxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(3-methoxy-4-phenethyloxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3-methoxy-4-phenethyloxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3-methoxy-4-phenethyloxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3-methoxy-4-phenethyloxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(3-methoxy-4-phenethyloxy-benzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C(=O)O

InChI

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