methyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)(C)OC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)(C)OC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H17BrN2O4S/c1-9-12(13(20)22-4)24-15(18-9)19-14(21)16(2,3)23-11-7-5-10(17)6-8-11/h5-8H,1-4H3,(H,18,19,21)