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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S2/c1-25-17-8-7-13(10-18(17)26-2)19-21-15(12-28-19)11-27-20(22)14-5-4-6-16(9-14)29(3,23)24/h4-10,12H,11H2,1-3H3