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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4-ethyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-ethyl-thiazole-5-carboxylic acid methyl ester Formula: C20H25BrN2O4S MolecularWeight: 469.3925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)C(=O)OC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)C(=O)OC

InChI

InChI=1S/C20H25BrN2O4S/c1-5-15-18(19(25)26-4)28-20(22-15)23-17(24)7-6-10-27-16-9-8-13(12(2)3)11-14(16)21/h8-9,11-12H,5-7,10H2,1-4H3,(H,22,23,24)