ethyl 2-(4-bromanyl-2-methyl-phenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-(4-bromanyl-2-methyl-phenyl)-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-(4-bromo-2-methyl-phenyl)thiazole-4-carboxylate CAS Name: 2-(4-bromo-2-methylphenyl)-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-bromo-2-methylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-bromo-2-methyl-phenyl)thiazole-4-carboxylic acid ethyl ester Formula: C13H12BrNO2S MolecularWeight: 326.20888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C13H12BrNO2S/c1-3-17-13(16)11-7-18-12(15-11)10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3