ethyl 2-[(2-bromanyl-6-phenethyl-phenoxy)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(2-bromanyl-6-phenethyl-phenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(2-bromo-6-phenethyl-phenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(2-bromo-6-phenethylphenoxy)methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-6-phenethylphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2-bromo-6-phenethyl-phenoxy)methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)COC2=C(C=CC=C2Br)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)COC2=C(C=CC=C2Br)CCC3=CC=CC=C3

InChI

InChI=1S/C21H20BrNO3S/c1-2-25-21(24)18-14-27-19(23-18)13-26-20-16(9-6-10-17(20)22)12-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3