4-methyl-2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(4-benzyloxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(4-benzoxybenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-14-20(21(25)26)28-19(23-14)11-18(24)22-12-15-7-9-17(10-8-15)27-13-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,22,24)(H,25,26)