ethyl 2-[3-bromanyl-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-bromanyl-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-bromo-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-bromo-4-neopentyloxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)(C)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)(C)C)Br)C

InChI

InChI=1S/C18H22BrNO3S/c1-6-22-17(21)15-11(2)20-16(24-15)12-7-8-14(13(19)9-12)23-10-18(3,4)5/h7-9H,6,10H2,1-5H3