[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-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=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-13-4-7-15(8-5-13)21-20-22-16(12-27-20)11-26-19(23)18-10-17(28(3,24)25)9-6-14(18)2/h4-10,12H,11H2,1-3H3,(H,21,22)