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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H18BrNO5S2 MolecularWeight: 496.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H18BrNO5S2/c1-12-4-6-15(29(3,24)25)9-16(12)20(23)27-10-14-11-28-19(22-14)17-8-13(21)5-7-18(17)26-2/h4-9,11H,10H2,1-3H3