2-[2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)ethylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(2-tert-butyl-4-ethylphenoxy)ethylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethylamino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCNC(=O)CC2=NC(=C(S2)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCNC(=O)CC2=NC(=C(S2)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C21H28N2O4S/c1-6-14-7-8-16(15(11-14)21(3,4)5)27-10-9-22-17(24)12-18-23-13(2)19(28-18)20(25)26/h7-8,11H,6,9-10,12H2,1-5H3,(H,22,24)(H,25,26)