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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C20H20N2O4S2/c1-14-6-8-17(9-7-14)21-20-22-18(12-27-20)11-26-19(23)16-5-3-4-15(10-16)13-28(2,24)25/h3-10,12H,11,13H2,1-2H3,(H,21,22)