[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3,3-dimethylbutanoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 3,3-dimethylbutanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C17H20BrNO3S MolecularWeight: 398.3146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO3S/c1-17(2,3)8-15(20)22-9-12-10-23-16(19-12)13-7-11(18)5-6-14(13)21-4/h5-7,10H,8-9H2,1-4H3