[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CSC(=N1)C2=C(C(=CC=C2)OC)OC)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OCC1=CSC(=N1)C2=C(C(=CC=C2)OC)OC)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO5S/c1-13(28-16-9-7-14(22)8-10-16)21(24)27-11-15-12-29-20(23-15)17-5-4-6-18(25-2)19(17)26-3/h4-10,12-13H,11H2,1-3H3