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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-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-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C19H16BrNO5S2 MolecularWeight: 482.36804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H16BrNO5S2/c1-25-16-8-7-12(20)9-15(16)18-21-13(11-27-18)10-26-19(22)14-5-3-4-6-17(14)28(2,23)24/h3-9,11H,10H2,1-2H3