ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)C

InChI

InChI=1S/C21H27BrN2O4S/c1-6-27-19(26)18-13(2)23-20(29-18)24-17(25)8-7-11-28-16-10-9-14(12-15(16)22)21(3,4)5/h9-10,12H,6-8,11H2,1-5H3,(H,23,24,25)