[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)OC

InChI

InChI=1S/C21H21NO6S2/c1-26-18-9-8-16(10-19(18)27-2)20-22-17(12-29-20)11-28-21(23)15-6-4-14(5-7-15)13-30(3,24)25/h4-10,12H,11,13H2,1-3H3